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

Systemtic Name: (2S)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-one Openeye Name: (2S)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexanone CAS Name: (2S)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-cyclohexanone IUPAC Name: (2S)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-one Traditional Name: (2S)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]cyclohexanone Formula: C16H19N3OS MolecularWeight: 301.40656

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC2CCCCC2=O)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1S[C@H]2CCCCC2=O)C3=CC=CC=C3

InChI

InChI=1S/C16H19N3OS/c1-2-19-15(12-8-4-3-5-9-12)17-18-16(19)21-14-11-7-6-10-13(14)20/h3-5,8-9,14H,2,6-7,10-11H2,1H3/t14-/m0/s1