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

Systemtic Name: (2S)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-one Openeye Name: (2S)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexanone CAS Name: (2S)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-cyclohexanone IUPAC Name: (2S)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-one Traditional Name: (2S)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]cyclohexanone Formula: C15H17N3OS MolecularWeight: 287.37998

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2CCCCC2=O)C3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1S[C@H]2CCCCC2=O)C3=CC=CC=C3

InChI

InChI=1S/C15H17N3OS/c1-18-14(11-7-3-2-4-8-11)16-17-15(18)20-13-10-6-5-9-12(13)19/h2-4,7-8,13H,5-6,9-10H2,1H3/t13-/m0/s1