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

Systemtic Name: 8-[[4-(3-chloranyl-2-methyl-phenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Openeye Name: 8-[[4-(3-chloro-2-methyl-phenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline CAS Name: 8-[[[4-(3-chloro-2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]quinoline IUPAC Name: 8-[[4-(3-chloro-2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Traditional Name: 8-[[[4-(3-chloro-2-methyl-phenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline Formula: C24H18ClN5S MolecularWeight: 443.95122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=NN=C2SCC3=CC=CC4=C3N=CC=C4)C5=CC=NC=C5

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=NN=C2SCC3=CC=CC4=C3N=CC=C4)C5=CC=NC=C5

InChI

InChI=1S/C24H18ClN5S/c1-16-20(25)8-3-9-21(16)30-23(18-10-13-26-14-11-18)28-29-24(30)31-15-19-6-2-5-17-7-4-12-27-22(17)19/h2-14H,15H2,1H3