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

Systemtic Name: 3-(2-chloranylprop-2-enylsulfanyl)-4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazole Openeye Name: 3-(2-chloroallylsulfanyl)-4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazole CAS Name: 3-(2-chloroprop-2-enylthio)-4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazole IUPAC Name: 3-(2-chloroprop-2-enylsulfanyl)-4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazole Traditional Name: 3-(2-chloroallylthio)-4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazole Formula: C19H24ClN3O2S MolecularWeight: 393.93076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC(=C)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC(=C)Cl)OC

InChI

InChI=1S/C19H24ClN3O2S/c1-13(20)12-26-19-22-21-18(23(19)15-7-5-4-6-8-15)14-9-10-16(24-2)17(11-14)25-3/h9-11,15H,1,4-8,12H2,2-3H3