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

Systemtic Name: N-(4-ethanoylphenyl)-2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(4-acetylphenyl)-2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(4-acetylphenyl)-2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(4-acetylphenyl)-2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(4-acetylphenyl)-2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2=CC=CC=C2)SC(C)C(=O)NC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SC(C)C(=O)NC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C21H22N4O2S/c1-14(26)18-9-11-19(12-10-18)22-20(27)15(2)28-21-24-23-16(3)25(21)13-17-7-5-4-6-8-17/h4-12,15H,13H2,1-3H3,(H,22,27)