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

Systemtic Name: 2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-one Openeye Name: 2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexanone CAS Name: 2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]-1-cyclohexanone IUPAC Name: 2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-one Traditional Name: 2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]cyclohexanone Formula: C11H17N3OS MolecularWeight: 239.33718

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SC2CCCCC2=O

Isomeric SMILES

CCCC1=NC(=NN1)SC2CCCCC2=O

InChI

InChI=1S/C11H17N3OS/c1-2-5-10-12-11(14-13-10)16-9-7-4-3-6-8(9)15/h9H,2-7H2,1H3,(H,12,13,14)