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

Systemtic Name: N-(2-methylpropyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-isobutyl-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-methylpropyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-methylpropyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-isobutyl-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C13H17N5OS MolecularWeight: 291.37198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)CSC1=NNC(=N1)C2=CC=NC=C2

Isomeric SMILES

CC(C)CNC(=O)CSC1=NNC(=N1)C2=CC=NC=C2

InChI

InChI=1S/C13H17N5OS/c1-9(2)7-15-11(19)8-20-13-16-12(17-18-13)10-3-5-14-6-4-10/h3-6,9H,7-8H2,1-2H3,(H,15,19)(H,16,17,18)