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

Systemtic Name: N-tert-butyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-tert-butyl-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-tert-butyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-tert-butyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-tert-butyl-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)(C)NC(=O)CSC1=NNC(=N1)C2=CC=NC=C2

Isomeric SMILES

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

InChI

InChI=1S/C13H17N5OS/c1-13(2,3)16-10(19)8-20-12-15-11(17-18-12)9-4-6-14-7-5-9/h4-7H,8H2,1-3H3,(H,16,19)(H,15,17,18)