2-hexylsulfanyl-N-[6-(1H-1,2,4-triazol-5-ylsulfanyl)quinolin-5-yl]decanamide

Systemtic Name: 2-hexylsulfanyl-N-[6-(1H-1,2,4-triazol-5-ylsulfanyl)quinolin-5-yl]decanamide Openeye Name: 2-hexylsulfanyl-N-[6-(1H-1,2,4-triazol-5-ylsulfanyl)-5-quinolyl]decanamide CAS Name: 2-(hexylthio)-N-[6-(1H-1,2,4-triazol-5-ylthio)-5-quinolinyl]decanamide IUPAC Name: 2-hexylsulfanyl-N-[6-(1H-1,2,4-triazol-5-ylsulfanyl)quinolin-5-yl]decanamide Traditional Name: 2-(hexylthio)-N-[6-(1H-1,2,4-triazol-5-ylthio)-5-quinolyl]capramide Formula: C27H39N5OS2 MolecularWeight: 513.76146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(=O)NC1=C(C=CC2=C1C=CC=N2)SC3=NC=NN3)SCCCCCC

Isomeric SMILES

CCCCCCCCC(C(=O)NC1=C(C=CC2=C1C=CC=N2)SC3=NC=NN3)SCCCCCC

InChI

InChI=1S/C27H39N5OS2/c1-3-5-7-9-10-11-15-24(34-19-12-8-6-4-2)26(33)31-25-21-14-13-18-28-22(21)16-17-23(25)35-27-29-20-30-32-27/h13-14,16-18,20,24H,3-12,15,19H2,1-2H3,(H,31,33)(H,29,30,32)