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

Systemtic Name: 6-fluoranyl-8-[[4-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Openeye Name: 8-[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-fluoro-quinoline CAS Name: 6-fluoro-8-[[[4-(phenylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline IUPAC Name: 8-[(4-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-fluoroquinoline Traditional Name: 8-[[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-6-fluoro-quinoline Formula: C24H18FN5S MolecularWeight: 427.496623

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=C4C(=CC(=C3)F)C=CC=N4)C5=CN=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=C4C(=CC(=C3)F)C=CC=N4)C5=CN=CC=C5

InChI

InChI=1S/C24H18FN5S/c25-21-12-18-8-5-11-27-22(18)20(13-21)16-31-24-29-28-23(19-9-4-10-26-14-19)30(24)15-17-6-2-1-3-7-17/h1-14H,15-16H2