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

Systemtic Name: 1-[(4-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propan-2-one Openeye Name: 1-[[4-cyclohexyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[(4-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-2-propanone IUPAC Name: 1-[(4-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propan-2-one Traditional Name: 1-[[4-cyclohexyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetone Formula: C16H20N4OS MolecularWeight: 316.4212

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NN=C(N1C2CCCCC2)C3=CC=NC=C3

Isomeric SMILES

CC(=O)CSC1=NN=C(N1C2CCCCC2)C3=CC=NC=C3

InChI

InChI=1S/C16H20N4OS/c1-12(21)11-22-16-19-18-15(13-7-9-17-10-8-13)20(16)14-5-3-2-4-6-14/h7-10,14H,2-6,11H2,1H3