2-methyl-N-[[4-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3-nitro-benzamide

Systemtic Name: 2-methyl-N-[[4-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3-nitro-benzamide Openeye Name: 2-methyl-N-[[4-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-3-nitro-benzamide CAS Name: 2-methyl-N-[[4-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3-nitrobenzamide IUPAC Name: 2-methyl-N-[[4-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3-nitrobenzamide Traditional Name: 2-methyl-N-[[4-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-3-nitro-benzamide Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NNC2=S)CNC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NNC2=S)CNC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H17N5O3S/c1-11-5-3-6-13(9-11)22-16(20-21-18(22)27)10-19-17(24)14-7-4-8-15(12(14)2)23(25)26/h3-9H,10H2,1-2H3,(H,19,24)(H,21,27)