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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NNC2=S)CNC(=O)COC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NNC2=S)CNC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C18H18N4O2S/c1-13-6-5-7-14(10-13)22-16(20-21-18(22)25)11-19-17(23)12-24-15-8-3-2-4-9-15/h2-10H,11-12H2,1H3,(H,19,23)(H,21,25)