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

Systemtic Name: 2-[[5-(3-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[[5-(3-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(p-tolyl)acetamide CAS Name: 2-[[5-(3-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[[5-(3-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[[5-(3-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(p-tolyl)acetamide Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC(=CC=C3)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC(=CC=C3)NC(=O)C

InChI

InChI=1S/C20H21N5O2S/c1-13-7-9-16(10-8-13)22-18(27)12-28-20-24-23-19(25(20)3)15-5-4-6-17(11-15)21-14(2)26/h4-11H,12H2,1-3H3,(H,21,26)(H,22,27)