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

Systemtic Name: 8-[[4-(phenylmethyl)-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Openeye Name: 8-[[4-benzyl-5-(1-piperidylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline CAS Name: 8-[[[4-(phenylmethyl)-5-(1-piperidinylmethyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline IUPAC Name: 8-[[4-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Traditional Name: 8-[[[4-benzyl-5-(piperidinomethyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline Formula: C25H27N5S MolecularWeight: 429.58038

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=NN=C(N2CC3=CC=CC=C3)SCC4=CC=CC5=C4N=CC=C5

Isomeric SMILES

C1CCN(CC1)CC2=NN=C(N2CC3=CC=CC=C3)SCC4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C25H27N5S/c1-3-9-20(10-4-1)17-30-23(18-29-15-5-2-6-16-29)27-28-25(30)31-19-22-12-7-11-21-13-8-14-26-24(21)22/h1,3-4,7-14H,2,5-6,15-19H2