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

Systemtic Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]quinoline-2-carboxamide Openeye Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]quinoline-2-carboxamide CAS Name: N-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]-2-quinolinecarboxamide IUPAC Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]quinoline-2-carboxamide Traditional Name: N-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]quinaldamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1C2CCCC2)CCCNC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CSC1=NN=C(N1C2CCCC2)CCCNC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H25N5OS/c1-28-21-25-24-19(26(21)16-8-3-4-9-16)11-6-14-22-20(27)18-13-12-15-7-2-5-10-17(15)23-18/h2,5,7,10,12-13,16H,3-4,6,8-9,11,14H2,1H3,(H,22,27)