5-(2-chlorophenyl)-3-methyl-7-nitro-1,3-dihydro-1,4-benzodiazepine-2-thione

Systemtic Name: 5-(2-chlorophenyl)-3-methyl-7-nitro-1,3-dihydro-1,4-benzodiazepine-2-thione Openeye Name: 5-(2-chlorophenyl)-3-methyl-7-nitro-1,3-dihydro-1,4-benzodiazepine-2-thione CAS Name: 5-(2-chlorophenyl)-3-methyl-7-nitro-1,3-dihydro-1,4-benzodiazepine-2-thione IUPAC Name: 5-(2-chlorophenyl)-3-methyl-7-nitro-1,3-dihydro-1,4-benzodiazepine-2-thione Traditional Name: 5-(2-chlorophenyl)-3-methyl-7-nitro-1,3-dihydro-1,4-benzodiazepine-2-thione Formula: C16H12ClN3O2S MolecularWeight: 345.80338

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl

Isomeric SMILES

CC1C(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl

InChI

InChI=1S/C16H12ClN3O2S/c1-9-16(23)19-14-7-6-10(20(21)22)8-12(14)15(18-9)11-4-2-3-5-13(11)17/h2-9H,1H3,(H,19,23)