N-(4-ethanoylphenyl)-2-[[5-(2-ethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-ethanoylphenyl)-2-[[5-(2-ethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-acetylphenyl)-2-[[5-(2-ethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-acetylphenyl)-2-[[5-(2-ethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-acetylphenyl)-2-[[5-(2-ethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-acetylphenyl)-2-[(4-methyl-5-o-phenetyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NN=C(N2C)SCC(=O)NC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CCOC1=CC=CC=C1C2=NN=C(N2C)SCC(=O)NC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C21H22N4O3S/c1-4-28-18-8-6-5-7-17(18)20-23-24-21(25(20)3)29-13-19(27)22-16-11-9-15(10-12-16)14(2)26/h5-12H,4,13H2,1-3H3,(H,22,27)