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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)SC1=NN=C(N1CC2=CC=CC=C2)C3=CN=CC=C3

Isomeric SMILES

CC(C)CNC(=O)C(C)SC1=NN=C(N1CC2=CC=CC=C2)C3=CN=CC=C3

InChI

InChI=1S/C21H25N5OS/c1-15(2)12-23-20(27)16(3)28-21-25-24-19(18-10-7-11-22-13-18)26(21)14-17-8-5-4-6-9-17/h4-11,13,15-16H,12,14H2,1-3H3,(H,23,27)