2-[[4-(phenylmethyl)-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-yl-ethanamide

Systemtic Name: 2-[[4-(phenylmethyl)-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-yl-ethanamide Openeye Name: 2-[[4-benzyl-5-(1-piperidylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-quinolyl)acetamide CAS Name: 2-[[4-(phenylmethyl)-5-(1-piperidinylmethyl)-1,2,4-triazol-3-yl]thio]-N-(5-quinolinyl)acetamide IUPAC Name: 2-[[4-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-ylacetamide Traditional Name: 2-[[4-benzyl-5-(piperidinomethyl)-1,2,4-triazol-3-yl]thio]-N-(5-quinolyl)acetamide Formula: C26H28N6OS MolecularWeight: 472.60512

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=NN=C(N2CC3=CC=CC=C3)SCC(=O)NC4=CC=CC5=C4C=CC=N5

Isomeric SMILES

C1CCN(CC1)CC2=NN=C(N2CC3=CC=CC=C3)SCC(=O)NC4=CC=CC5=C4C=CC=N5

InChI

InChI=1S/C26H28N6OS/c33-25(28-23-13-7-12-22-21(23)11-8-14-27-22)19-34-26-30-29-24(18-31-15-5-2-6-16-31)32(26)17-20-9-3-1-4-10-20/h1,3-4,7-14H,2,5-6,15-19H2,(H,28,33)