5-chloranyl-8-[[4-(4-ethoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline

Systemtic Name: 5-chloranyl-8-[[4-(4-ethoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Openeye Name: 5-chloro-8-[[4-(4-ethoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline CAS Name: 5-chloro-8-[[[4-(4-ethoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]quinoline IUPAC Name: 5-chloro-8-[[4-(4-ethoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Traditional Name: 5-chloro-8-[[[4-p-phenetyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline Formula: C25H20ClN5OS MolecularWeight: 473.9772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=C4C(=C(C=C3)Cl)C=CC=N4)C5=CC=NC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=C4C(=C(C=C3)Cl)C=CC=N4)C5=CC=NC=C5

InChI

InChI=1S/C25H20ClN5OS/c1-2-32-20-8-6-19(7-9-20)31-24(17-11-14-27-15-12-17)29-30-25(31)33-16-18-5-10-22(26)21-4-3-13-28-23(18)21/h3-15H,2,16H2,1H3