588712-41-8
3-CHLORO-N-[(1-ETHYL-1H-PYRAZOL-4-YL)METHYL]-N-METHYL-6-NITRO-BENZO[B]THIOPHENE-2-CARBOXAMIDE
Name3-CHLORO-N-[(1-ETHYL-1H-PYRAZOL-4-YL)METHYL]-N-METHYL-6-NITRO-BENZO[B]THIOPHENE-2-CARBOXAMIDE
FormulaC16 H15 Cl N4 O3 S
1Identification
【Name】
3-CHLORO-N-[(1-ETHYL-1H-PYRAZOL-4-YL)METHYL]-N-METHYL-6-NITRO-BENZO[B]THIOPHENE-2-CARBOXAMIDE
【CAS】
【MDL】
MFCD03945060
【English Synonyms】
【Formula】
C16 H15 Cl N4 O3 S
【MolWeight】
378.839
【Inchi】
InChI=1S/C16H15ClN4O3S/c1-3-20-9-10(7-18-20)8-19(2)16(22)15-14(17)12-5-4-11(21(23)24)6-13(12)25-15/h4-7,9H,3,8H2,1-2H3
【InChIKey】
InChIKey=JCTKWDQZPRZTPQ-UHFFFAOYSA-N
【SMILES】
CCn1cc(cn1)CN(C)C(=O)c2c(c3ccc(cc3s2)[N+](=O)[O-])Cl
【MOL File】
3-CHLORO-N-[(1-ETHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-CHLORO-N-[(1-ETHYL-1H-PYRAZOL-4-YL)METHYL]-N-METHYL-6-NITRO-BENZO[B]THIOPHENE-2-CARBOXAMIDE.cml