8-[[4-cyclohexyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline

Systemtic Name: 8-[[4-cyclohexyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Openeye Name: 8-[[4-cyclohexyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline CAS Name: 8-[[[4-cyclohexyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline IUPAC Name: 8-[[4-cyclohexyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Traditional Name: 8-[[[4-cyclohexyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline Formula: C27H30N4O3S MolecularWeight: 490.6171

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2C3CCCCC3)SCC4=CC=CC5=C4N=CC=C5

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2C3CCCCC3)SCC4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C27H30N4O3S/c1-32-22-15-20(16-23(33-2)25(22)34-3)26-29-30-27(31(26)21-12-5-4-6-13-21)35-17-19-10-7-9-18-11-8-14-28-24(18)19/h7-11,14-16,21H,4-6,12-13,17H2,1-3H3