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

Systemtic Name: (2S)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one Openeye Name: (2S)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]cyclohexanone CAS Name: (2S)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-cyclohexanone IUPAC Name: (2S)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one Traditional Name: (2S)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]cyclohexanone Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2CCCCC2=O)C3=CC=CC=C3OC

Isomeric SMILES

CN1C(=NN=C1S[C@H]2CCCCC2=O)C3=CC=CC=C3OC

InChI

InChI=1S/C16H19N3O2S/c1-19-15(11-7-3-5-9-13(11)21-2)17-18-16(19)22-14-10-6-4-8-12(14)20/h3,5,7,9,14H,4,6,8,10H2,1-2H3/t14-/m0/s1