1-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]carbonyl-3,4-dihydro-2H-quinoline-5-carboxamide

Systemtic Name: 1-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]carbonyl-3,4-dihydro-2H-quinoline-5-carboxamide Openeye Name: 1-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzoyl]-3,4-dihydro-2H-quinoline-5-carboxamide CAS Name: 1-[[4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]-oxomethyl]-3,4-dihydro-2H-quinoline-5-carboxamide IUPAC Name: 1-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoyl]-3,4-dihydro-2H-quinoline-5-carboxamide Traditional Name: 1-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzoyl]-3,4-dihydro-2H-quinoline-5-carboxamide Formula: C20H18N6O4S MolecularWeight: 438.45972

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)N3CCCC4=C(C=CC=C43)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)N3CCCC4=C(C=CC=C43)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H18N6O4S/c1-24-11-22-23-20(24)31-17-8-7-12(10-16(17)26(29)30)19(28)25-9-3-5-13-14(18(21)27)4-2-6-15(13)25/h2,4,6-8,10-11H,3,5,9H2,1H3,(H2,21,27)