3,3-dimethyl-1-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]butan-2-one

Systemtic Name: 3,3-dimethyl-1-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]butan-2-one Openeye Name: 3,3-dimethyl-1-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butan-2-one CAS Name: 3,3-dimethyl-1-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]-2-butanone IUPAC Name: 3,3-dimethyl-1-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]butan-2-one Traditional Name: 3,3-dimethyl-1-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]butan-2-one Formula: C13H16N4OS MolecularWeight: 276.35734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4OS/c1-13(2,3)10(18)8-19-12-15-11(16-17-12)9-4-6-14-7-5-9/h4-7H,8H2,1-3H3,(H,15,16,17)