2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexan-1-one

Systemtic Name: 2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexan-1-one Openeye Name: 2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexanone CAS Name: 2-(1H-1,2,4-triazol-5-ylthio)-1-cyclohexanone IUPAC Name: 2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexan-1-one Traditional Name: 2-(1H-1,2,4-triazol-5-ylthio)cyclohexanone Formula: C8H11N3OS MolecularWeight: 197.25744

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)SC2=NC=NN2

Isomeric SMILES

C1CCC(=O)C(C1)SC2=NC=NN2

InChI

InChI=1S/C8H11N3OS/c12-6-3-1-2-4-7(6)13-8-9-5-10-11-8/h5,7H,1-4H2,(H,9,10,11)