N-(2-ethyl-6-methyl-phenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSC2=NNC(=N2)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSC2=NNC(=N2)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C20H22N4O2S/c1-4-14-7-5-6-13(2)18(14)21-17(25)12-27-20-22-19(23-24-20)15-8-10-16(26-3)11-9-15/h5-11H,4,12H2,1-3H3,(H,21,25)(H,22,23,24)