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

Systemtic Name: (2S)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one Openeye Name: (2S)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]cyclohexanone CAS Name: (2S)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-cyclohexanone IUPAC Name: (2S)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one Traditional Name: (2S)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]cyclohexanone Formula: C15H17N3O2S MolecularWeight: 303.37938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NN2)SC3CCCCC3=O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NN2)S[C@H]3CCCCC3=O

InChI

InChI=1S/C15H17N3O2S/c1-20-11-8-6-10(7-9-11)14-16-15(18-17-14)21-13-5-3-2-4-12(13)19/h6-9,13H,2-5H2,1H3,(H,16,17,18)/t13-/m0/s1