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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SC3CCCCC3=O

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)S[C@H]3CCCCC3=O

InChI

InChI=1S/C16H19N3OS/c1-2-11-7-9-12(10-8-11)15-17-16(19-18-15)21-14-6-4-3-5-13(14)20/h7-10,14H,2-6H2,1H3,(H,17,18,19)/t14-/m0/s1