6-fluoranyl-8-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline

Systemtic Name: 6-fluoranyl-8-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Openeye Name: 6-fluoro-8-[[4-phenyl-5-(1-piperidylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline CAS Name: 6-fluoro-8-[[[4-phenyl-5-(1-piperidinylmethyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline IUPAC Name: 6-fluoro-8-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Traditional Name: 6-fluoro-8-[[[4-phenyl-5-(piperidinomethyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline Formula: C24H24FN5S MolecularWeight: 433.544263

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=NN=C(N2C3=CC=CC=C3)SCC4=C5C(=CC(=C4)F)C=CC=N5

Isomeric SMILES

C1CCN(CC1)CC2=NN=C(N2C3=CC=CC=C3)SCC4=C5C(=CC(=C4)F)C=CC=N5

InChI

InChI=1S/C24H24FN5S/c25-20-14-18-8-7-11-26-23(18)19(15-20)17-31-24-28-27-22(16-29-12-5-2-6-13-29)30(24)21-9-3-1-4-10-21/h1,3-4,7-11,14-15H,2,5-6,12-13,16-17H2