4-cyclohexyl-3-(3,4-dimethoxyphenyl)-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazole

Systemtic Name: 4-cyclohexyl-3-(3,4-dimethoxyphenyl)-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazole Openeye Name: 4-cyclohexyl-3-(3,4-dimethoxyphenyl)-5-(2-methylallylsulfanyl)-1,2,4-triazole CAS Name: 4-cyclohexyl-3-(3,4-dimethoxyphenyl)-5-(2-methylprop-2-enylthio)-1,2,4-triazole IUPAC Name: 4-cyclohexyl-3-(3,4-dimethoxyphenyl)-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazole Traditional Name: 4-cyclohexyl-3-(3,4-dimethoxyphenyl)-5-(2-methylallylthio)-1,2,4-triazole Formula: C20H27N3O2S MolecularWeight: 373.51228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CSC1=NN=C(N1C2CCCCC2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(=C)CSC1=NN=C(N1C2CCCCC2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H27N3O2S/c1-14(2)13-26-20-22-21-19(23(20)16-8-6-5-7-9-16)15-10-11-17(24-3)18(12-15)25-4/h10-12,16H,1,5-9,13H2,2-4H3