N-[[4-(2-methylpropyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]pyridine-2-carboxamide

Systemtic Name: N-[[4-(2-methylpropyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]pyridine-2-carboxamide Openeye Name: N-[(4-isobutyl-5-phenethylsulfanyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide CAS Name: N-[[4-(2-methylpropyl)-5-(phenethylthio)-1,2,4-triazol-3-yl]methyl]-2-pyridinecarboxamide IUPAC Name: N-[[4-(2-methylpropyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]pyridine-2-carboxamide Traditional Name: N-[[4-isobutyl-5-(phenethylthio)-1,2,4-triazol-3-yl]methyl]picolinamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCCC2=CC=CC=C2)CNC(=O)C3=CC=CC=N3

Isomeric SMILES

CC(C)CN1C(=NN=C1SCCC2=CC=CC=C2)CNC(=O)C3=CC=CC=N3

InChI

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