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

Systemtic Name: N-[6-[6-(1H-1,2,4-triazol-5-ylsulfanyl)quinolin-5-yl]hexan-2-yl]decanethioamide Openeye Name: N-[1-methyl-5-[6-(1H-1,2,4-triazol-5-ylsulfanyl)-5-quinolyl]pentyl]decanethioamide CAS Name: N-[6-[6-(1H-1,2,4-triazol-5-ylthio)-5-quinolinyl]hexan-2-yl]decanethioamide IUPAC Name: N-[6-[6-(1H-1,2,4-triazol-5-ylsulfanyl)quinolin-5-yl]hexan-2-yl]decanethioamide Traditional Name: N-[1-methyl-5-[6-(1H-1,2,4-triazol-5-ylthio)-5-quinolyl]pentyl]thiocapramide Formula: C27H39N5S2 MolecularWeight: 497.76206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=S)NC(C)CCCCC1=C(C=CC2=C1C=CC=N2)SC3=NC=NN3

Isomeric SMILES

CCCCCCCCCC(=S)NC(C)CCCCC1=C(C=CC2=C1C=CC=N2)SC3=NC=NN3

InChI

InChI=1S/C27H39N5S2/c1-3-4-5-6-7-8-9-16-26(33)31-21(2)13-10-11-14-23-22-15-12-19-28-24(22)17-18-25(23)34-27-29-20-30-32-27/h12,15,17-21H,3-11,13-14,16H2,1-2H3,(H,31,33)(H,29,30,32)