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

Systemtic Name: (2S)-2-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one Openeye Name: (2S)-2-[[4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]cyclohexanone CAS Name: (2S)-2-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]thio]-1-cyclohexanone IUPAC Name: (2S)-2-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one Traditional Name: (2S)-2-[[4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]cyclohexanone Formula: C18H23N3O2S MolecularWeight: 345.45912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SC2CCCCC2=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)N1C(=NN=C1S[C@H]2CCCCC2=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H23N3O2S/c1-12(2)21-17(13-8-10-14(23-3)11-9-13)19-20-18(21)24-16-7-5-4-6-15(16)22/h8-12,16H,4-7H2,1-3H3/t16-/m0/s1