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

Systemtic Name: 1-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propan-2-one Openeye Name: 1-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-2-propanone IUPAC Name: 1-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propan-2-one Traditional Name: 1-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetone Formula: C11H12N4OS MolecularWeight: 248.30418

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NN=C(N1C)C2=CC=NC=C2

Isomeric SMILES

CC(=O)CSC1=NN=C(N1C)C2=CC=NC=C2

InChI

InChI=1S/C11H12N4OS/c1-8(16)7-17-11-14-13-10(15(11)2)9-3-5-12-6-4-9/h3-6H,7H2,1-2H3