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

Systemtic Name: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-pentan-2-yl-ethanamide Openeye Name: N-(1-methylbutyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-pentan-2-ylacetamide IUPAC Name: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-pentan-2-ylacetamide Traditional Name: N-(1-methylbutyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C16H22N4OS MolecularWeight: 318.43708

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C

Isomeric SMILES

CCCC(C)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C

InChI

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