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

Systemtic Name: 1-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-one Openeye Name: 1-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]-2-propanone IUPAC Name: 1-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-one Traditional Name: 1-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetone Formula: C10H10N4OS MolecularWeight: 234.2776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10N4OS/c1-7(15)6-16-10-12-9(13-14-10)8-2-4-11-5-3-8/h2-5H,6H2,1H3,(H,12,13,14)