2-[[4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-heptan-2-yl-ethanamide

Systemtic Name: 2-[[4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-heptan-2-yl-ethanamide Openeye Name: 2-[[4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-methylhexyl)acetamide CAS Name: 2-[[4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]thio]-N-heptan-2-ylacetamide IUPAC Name: 2-[[4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-heptan-2-ylacetamide Traditional Name: 2-[[4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]thio]-N-(1-methylhexyl)acetamide Formula: C19H28N4OS MolecularWeight: 360.51682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)CSC1=NN=CN1C2=CC(=C(C=C2)C)C

Isomeric SMILES

CCCCCC(C)NC(=O)CSC1=NN=CN1C2=CC(=C(C=C2)C)C

InChI

InChI=1S/C19H28N4OS/c1-5-6-7-8-16(4)21-18(24)12-25-19-22-20-13-23(19)17-10-9-14(2)15(3)11-17/h9-11,13,16H,5-8,12H2,1-4H3,(H,21,24)