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

Systemtic Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-one Openeye Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexanone CAS Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]-1-cyclohexanone IUPAC Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-one Traditional Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]cyclohexanone Formula: C12H19N3OS MolecularWeight: 253.36376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=NN1)SC2CCCCC2=O

Isomeric SMILES

CC(C)(C)C1=NC(=NN1)SC2CCCCC2=O

InChI

InChI=1S/C12H19N3OS/c1-12(2,3)10-13-11(15-14-10)17-9-7-5-4-6-8(9)16/h9H,4-7H2,1-3H3,(H,13,14,15)