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

Systemtic Name: 2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)ethanamide Openeye Name: N-isobutyl-2-[[4-methyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-methylpropyl)acetamide IUPAC Name: 2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)acetamide Traditional Name: N-isobutyl-2-[[4-methyl-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C16H22N4OS MolecularWeight: 318.43708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)NCC(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)NCC(C)C

InChI

InChI=1S/C16H22N4OS/c1-11(2)9-17-14(21)10-22-16-19-18-15(20(16)4)13-7-5-6-12(3)8-13/h5-8,11H,9-10H2,1-4H3,(H,17,21)