N-(4-butan-2-ylphenyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-butan-2-ylphenyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sec-butylphenyl)acetamide CAS Name: N-(4-butan-2-ylphenyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-butan-2-ylphenyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]-N-(4-sec-butylphenyl)acetamide Formula: C16H22N4OS MolecularWeight: 318.43708

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C

InChI

InChI=1S/C16H22N4OS/c1-5-11(2)13-6-8-14(9-7-13)17-15(21)10-22-16-19-18-12(3)20(16)4/h6-9,11H,5,10H2,1-4H3,(H,17,21)