1-[(1R)-1-(benzotriazol-1-yl)-1-methylsulfanyl-2-phenyl-ethyl]cyclohexan-1-ol

Systemtic Name: 1-[(1R)-1-(benzotriazol-1-yl)-1-methylsulfanyl-2-phenyl-ethyl]cyclohexan-1-ol Openeye Name: 1-[(1R)-1-(benzotriazol-1-yl)-1-methylsulfanyl-2-phenyl-ethyl]cyclohexanol CAS Name: 1-[(1R)-1-(1-benzotriazolyl)-1-(methylthio)-2-phenylethyl]-1-cyclohexanol IUPAC Name: 1-[(1R)-1-(benzotriazol-1-yl)-1-methylsulfanyl-2-phenylethyl]cyclohexan-1-ol Traditional Name: 1-[(1R)-1-(benzotriazol-1-yl)-1-(methylthio)-2-phenyl-ethyl]cyclohexanol Formula: C21H25N3OS MolecularWeight: 367.5077

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC(CC1=CC=CC=C1)(C2(CCCCC2)O)N3C4=CC=CC=C4N=N3

Isomeric SMILES

CS[C@](CC1=CC=CC=C1)(C2(CCCCC2)O)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H25N3OS/c1-26-21(16-17-10-4-2-5-11-17,20(25)14-8-3-9-15-20)24-19-13-7-6-12-18(19)22-23-24/h2,4-7,10-13,25H,3,8-9,14-16H2,1H3/t21-/m1/s1