N-[[4-(2,6-diethylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2-phenoxy-ethanamide

Systemtic Name: N-[[4-(2,6-diethylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2-phenoxy-ethanamide Openeye Name: N-[[4-(2,6-diethylphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-2-phenoxy-acetamide CAS Name: N-[[4-(2,6-diethylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2-phenoxyacetamide IUPAC Name: N-[[4-(2,6-diethylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2-phenoxyacetamide Traditional Name: N-[[4-(2,6-diethylphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-2-phenoxy-acetamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=NNC2=S)CNC(=O)COC3=CC=CC=C3

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=NNC2=S)CNC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O2S/c1-3-15-9-8-10-16(4-2)20(15)25-18(23-24-21(25)28)13-22-19(26)14-27-17-11-6-5-7-12-17/h5-12H,3-4,13-14H2,1-2H3,(H,22,26)(H,24,28)