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

Systemtic Name: 4-methyl-N-[[4-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3-nitro-benzamide Openeye Name: 4-methyl-N-[[4-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-3-nitro-benzamide CAS Name: 4-methyl-N-[[4-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3-nitrobenzamide IUPAC Name: 4-methyl-N-[[4-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3-nitrobenzamide Traditional Name: 4-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=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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