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

Systemtic Name: N-(4-ethanoylphenyl)-2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(4-acetylphenyl)-2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(4-acetylphenyl)-2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(4-acetylphenyl)-2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(4-acetylphenyl)-2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]thio]propionamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=C(C=C2)OC)SC(C)C(=O)NC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC1=NN=C(N1C2=CC=C(C=C2)OC)SC(C)C(=O)NC3=CC=C(C=C3)C(=O)C

InChI

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