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

Systemtic Name: (2S)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-one Openeye Name: (2S)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexanone CAS Name: (2S)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-1-cyclohexanone IUPAC Name: (2S)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-one Traditional Name: (2S)-2-[(5-phenyl-1H-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=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

C1CCC(=O)[C@H](C1)SC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C14H15N3OS/c18-11-8-4-5-9-12(11)19-14-15-13(16-17-14)10-6-2-1-3-7-10/h1-3,6-7,12H,4-5,8-9H2,(H,15,16,17)/t12-/m0/s1