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

Systemtic Name: 5-chloranyl-8-[[4-(3-ethoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Openeye Name: 5-chloro-8-[[4-(3-ethoxypropyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline CAS Name: 5-chloro-8-[[[4-(3-ethoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]quinoline IUPAC Name: 5-chloro-8-[[4-(3-ethoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Traditional Name: 5-chloro-8-[[[4-(3-ethoxypropyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline Formula: C22H22ClN5OS MolecularWeight: 439.96098

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=NN=C1SCC2=C3C(=C(C=C2)Cl)C=CC=N3)C4=CC=NC=C4

Isomeric SMILES

CCOCCCN1C(=NN=C1SCC2=C3C(=C(C=C2)Cl)C=CC=N3)C4=CC=NC=C4

InChI

InChI=1S/C22H22ClN5OS/c1-2-29-14-4-13-28-21(16-8-11-24-12-9-16)26-27-22(28)30-15-17-6-7-19(23)18-5-3-10-25-20(17)18/h3,5-12H,2,4,13-15H2,1H3