4-[(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]thiophene-2-carboxamide

Systemtic Name: 4-[(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]thiophene-2-carboxamide Openeye Name: 4-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]thiophene-2-carboxamide CAS Name: 4-[(4-chloro-3,5-dimethyl-1-pyrazolyl)methyl]-N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-2-thiophenecarboxamide IUPAC Name: 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]thiophene-2-carboxamide Traditional Name: 4-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]-N-[3-nitro-5-(p-tolylthio)phenyl]thiophene-2-carboxamide Formula: C24H21ClN4O3S2 MolecularWeight: 513.03154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC(=CS3)CN4C(=C(C(=N4)C)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC(=CS3)CN4C(=C(C(=N4)C)Cl)C

InChI

InChI=1S/C24H21ClN4O3S2/c1-14-4-6-20(7-5-14)34-21-10-18(9-19(11-21)29(31)32)26-24(30)22-8-17(13-33-22)12-28-16(3)23(25)15(2)27-28/h4-11,13H,12H2,1-3H3,(H,26,30)