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

Systemtic Name: 1-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propan-2-one Openeye Name: 1-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propan-2-one Traditional Name: 1-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetone Formula: C13H14N4OS MolecularWeight: 274.34146

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NN=C(N1C2CC2)C3=CN=CC=C3

Isomeric SMILES

CC(=O)CSC1=NN=C(N1C2CC2)C3=CN=CC=C3

InChI

InChI=1S/C13H14N4OS/c1-9(18)8-19-13-16-15-12(17(13)11-4-5-11)10-3-2-6-14-7-10/h2-3,6-7,11H,4-5,8H2,1H3