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

Systemtic Name: 2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-one Openeye Name: 2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]cyclohexanone CAS Name: 2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-cyclohexanone IUPAC Name: 2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-one Traditional Name: 2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]cyclohexanone Formula: C14H16N4OS MolecularWeight: 288.36804

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2CCCCC2=O)C3=CC=NC=C3

Isomeric SMILES

CN1C(=NN=C1SC2CCCCC2=O)C3=CC=NC=C3

InChI

InChI=1S/C14H16N4OS/c1-18-13(10-6-8-15-9-7-10)16-17-14(18)20-12-5-3-2-4-11(12)19/h6-9,12H,2-5H2,1H3