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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2C)SC(C)C(=O)NC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2C)SC(C)C(=O)NC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C21H22N4O2S/c1-13-6-5-7-17(12-13)19-23-24-21(25(19)4)28-15(3)20(27)22-18-10-8-16(9-11-18)14(2)26/h5-12,15H,1-4H3,(H,22,27)