N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-2-pyridin-3-yl-quinoline-4-carboxamide

Systemtic Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: N-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: N-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]-2-(3-pyridyl)cinchoninamide Formula: C26H28N6OS MolecularWeight: 472.60512

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1C2CCCC2)CCCNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5

Isomeric SMILES

CSC1=NN=C(N1C2CCCC2)CCCNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5

InChI

InChI=1S/C26H28N6OS/c1-34-26-31-30-24(32(26)19-9-2-3-10-19)13-7-15-28-25(33)21-16-23(18-8-6-14-27-17-18)29-22-12-5-4-11-20(21)22/h4-6,8,11-12,14,16-17,19H,2-3,7,9-10,13,15H2,1H3,(H,28,33)