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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C3=CC(=CC=C3)NC(=O)C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C3=CC(=CC=C3)NC(=O)C)C

InChI

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