2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-one

Systemtic Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-one Openeye Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexanone CAS Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)thio]-1-cyclohexanone IUPAC Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-one Traditional Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)thio]cyclohexanone Formula: C14H15N3OS MolecularWeight: 273.3534

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)SC2=NN=CN2C3=CC=CC=C3

Isomeric SMILES

C1CCC(=O)C(C1)SC2=NN=CN2C3=CC=CC=C3

InChI

InChI=1S/C14H15N3OS/c18-12-8-4-5-9-13(12)19-14-16-15-10-17(14)11-6-2-1-3-7-11/h1-3,6-7,10,13H,4-5,8-9H2