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

Systemtic Name: 2-chloranyl-3-[[4-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Openeye Name: 3-[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-chloro-quinoline CAS Name: 2-chloro-3-[[[4-(phenylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline IUPAC Name: 3-[(4-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-chloroquinoline Traditional Name: 3-[[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-2-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=CC4=CC=CC=C4N=C3Cl)C5=CN=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC4=CC=CC=C4N=C3Cl)C5=CN=CC=C5

InChI

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