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

Systemtic Name: (2S)-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one Openeye Name: (2S)-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]cyclohexanone CAS Name: (2S)-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-cyclohexanone IUPAC Name: (2S)-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one Traditional Name: (2S)-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]cyclohexanone Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O2S/c1-3-20-16(12-8-10-13(22-2)11-9-12)18-19-17(20)23-15-7-5-4-6-14(15)21/h8-11,15H,3-7H2,1-2H3/t15-/m0/s1