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

Systemtic Name: 3-methoxy-N-[[4-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 3-methoxy-N-[[4-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 3-methoxy-N-[[4-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 3-methoxy-N-[[4-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 3-methoxy-N-[[4-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]benzamide Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NNC2=S)CNC(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NNC2=S)CNC(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C18H18N4O2S/c1-12-5-3-7-14(9-12)22-16(20-21-18(22)25)11-19-17(23)13-6-4-8-15(10-13)24-2/h3-10H,11H2,1-2H3,(H,19,23)(H,21,25)