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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2CCCCC2=O)C3=CC=C(C=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O2S/c1-19-15(11-7-9-12(21-2)10-8-11)17-18-16(19)22-14-6-4-3-5-13(14)20/h7-10,14H,3-6H2,1-2H3/t14-/m0/s1