64278-67-7
(R,E)-BENZHYDRYL 3-((1-METHYL-1H-TETRAZOL-5-YLTHIO)METHYL)-8-OXO-7-(P-TOLYLTHIOIMINO)-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLATE
Name
(R,E)-BENZHYDRYL 3-((1-METHYL-1H-TETRAZOL-5-YLTHIO)METHYL)-8-OXO-7-(P-TOLYLTHIOIMINO)-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLATE
Formula
C30 H26 N6 O3 S3
MolWeight
614.772
1Identification
【Name】
(R,E)-BENZHYDRYL 3-((1-METHYL-1H-TETRAZOL-5-YLTHIO)METHYL)-8-OXO-7-(P-TOLYLTHIOIMINO)-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLATE
【CAS】
【MDL】
MFCD12913611
【English Synonyms】
【Formula】
C30 H26 N6 O3 S3
【MolWeight】
614.772
【Inchi】
InChI=1S/C30H26N6O3S3/c1-19-13-15-23(16-14-19)42-32-24-27(37)36-25(22(17-40-28(24)36)18-41-30-31-33-34-35(30)2)29(38)39-26(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,26,28H,17-18H2,1-2H3/b32-24+/t28-/m1/s1
【InChIKey】
InChIKey=OHDXOYHNWXYTAL-BQUQIILOSA-N
【SMILES】
Cc1ccc(cc1)S/N=C\2/[C@@H]3N(C2=O)C(=C(CS3)CSc4nnnn4C)C(=O)OC(c5ccccc5)c6ccccc6
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:9
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(R,E)-BENZHYDRYL 3-((1-METHYL-1H-TETRAZOL-5-YLTHIO)METHYL)-8-OXO-7-(P-TOLYLTHIOIMINO)-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLATE.cml
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Catalog No:TL80090877 5 G
Catalog No:TL80090877 10 G
Country/Region:China
Business Type:Trading Company
http://www.trylead-chem.com
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