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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=C4C(=C(C=C3)Cl)C=CC=N4)C5=CC=NC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=C4C(=C(C=C3)Cl)C=CC=N4)C5=CC=NC=C5

InChI

InChI=1S/C24H18ClN5S/c25-21-9-8-19(22-20(21)7-4-12-27-22)16-31-24-29-28-23(18-10-13-26-14-11-18)30(24)15-17-5-2-1-3-6-17/h1-14H,15-16H2