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

Systemtic Name: 2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-2-yl-ethanamide Openeye Name: N-(1-methylbutyl)-2-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-(2-methylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-pentan-2-ylacetamide IUPAC Name: 2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-2-ylacetamide Traditional Name: N-(1-methylbutyl)-2-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2C)C3=CN=CC=C3

Isomeric SMILES

CCCC(C)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2C)C3=CN=CC=C3

InChI

InChI=1S/C21H25N5OS/c1-4-8-16(3)23-19(27)14-28-21-25-24-20(17-10-7-12-22-13-17)26(21)18-11-6-5-9-15(18)2/h5-7,9-13,16H,4,8,14H2,1-3H3,(H,23,27)