78311-66-7
4-((PHENYLMETHYLENE)AMINO)-N-(2-(1H-TETRAZOL-5-YL)ETHYL)-N-2-THIAZOLYL BENZENESULFONAMIDE
Name4-((PHENYLMETHYLENE)AMINO)-N-(2-(1H-TETRAZOL-5-YL)ETHYL)-N-2-THIAZOLYL BENZENESULFONAMIDE
1Identification
【Name】
4-((PHENYLMETHYLENE)AMINO)-N-(2-(1H-TETRAZOL-5-YL)ETHYL)-N-2-THIAZOLYL BENZENESULFONAMIDE
【CAS】
【MDL】
MFCD01657870
【English Synonyms】
【Formula】
C19 H17 N7 O2 S2
【MolWeight】
439.522
【Inchi】
InChI=1S/C19H17N7O2S2/c27-30(28,26(19-20-11-13-29-19)12-10-18-22-24-25-23-18)17-8-6-16(7-9-17)21-14-15-4-2-1-3-5-15/h1-9,11,13-14H,10,12H2,(H,22,23,24,25)/b21-14+
【InChIKey】
InChIKey=CYNWDJYFLYTHIY-KGENOOAVSA-N
【SMILES】
c1ccc(cc1)/C=N/c2ccc(cc2)S(=O)(=O)N(CCc3[nH]nnn3)c4nccs4
【MOL File】
4-((PHENYLMETHYLENE)….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:9
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-((PHENYLMETHYLENE)AMINO)-N-(2-(1H-TETRAZOL-5-YL)ETHYL)-N-2-THIAZOLYL BENZENESULFONAMIDE.cml