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

Systemtic Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-one Openeye Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexanone CAS Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-1-cyclohexanone IUPAC Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-one Traditional Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]cyclohexanone Formula: C9H13N3OS MolecularWeight: 211.28402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SC2CCCCC2=O

Isomeric SMILES

CC1=NC(=NN1)SC2CCCCC2=O

InChI

InChI=1S/C9H13N3OS/c1-6-10-9(12-11-6)14-8-5-3-2-4-7(8)13/h8H,2-5H2,1H3,(H,10,11,12)