N-(4-ethanoylphenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(4-ethanoylphenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(4-acetylphenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(4-acetylphenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(4-acetylphenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(4-acetylphenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NNC(=N2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NNC(=N2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H20N4O3S/c1-12(25)14-4-8-16(9-5-14)21-19(26)13(2)28-20-22-18(23-24-20)15-6-10-17(27-3)11-7-15/h4-11,13H,1-3H3,(H,21,26)(H,22,23,24)