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

Systemtic Name: 8-[[4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Openeye Name: 8-[[4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline CAS Name: 8-[[[4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline IUPAC Name: 8-[[4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Traditional Name: 8-[[[4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline Formula: C26H28N4O2S MolecularWeight: 460.59112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC4=CC=CC5=C4N=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC4=CC=CC5=C4N=CC=C5)OC

InChI

InChI=1S/C26H28N4O2S/c1-31-22-14-13-19(16-23(22)32-2)25-28-29-26(30(25)21-11-4-3-5-12-21)33-17-20-9-6-8-18-10-7-15-27-24(18)20/h6-10,13-16,21H,3-5,11-12,17H2,1-2H3