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

Systemtic Name: N-[[4-(2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2-phenyl-ethanamide Openeye Name: N-[[4-(2-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-2-phenyl-acetamide CAS Name: N-[[4-(2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide IUPAC Name: N-[[4-(2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide Traditional Name: N-[[4-(2-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-2-phenyl-acetamide Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NNC2=S)CNC(=O)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1N2C(=NNC2=S)CNC(=O)CC3=CC=CC=C3

InChI

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