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

Systemtic Name: 2-[[4-(2-methylpropyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[4-isobutyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[4-(2-methylpropyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[4-(2-methylpropyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[4-isobutyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)C3=CN=CC=C3

Isomeric SMILES

CC(C)CN1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)C3=CN=CC=C3

InChI

InChI=1S/C21H25N5OS/c1-16(2)14-26-20(18-9-6-11-22-13-18)24-25-21(26)28-15-19(27)23-12-10-17-7-4-3-5-8-17/h3-9,11,13,16H,10,12,14-15H2,1-2H3,(H,23,27)