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

Systemtic Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-2-oxidanylidene-1H-quinoline-4-carboxamide Openeye Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-2-oxo-1H-quinoline-4-carboxamide CAS Name: N-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]-2-oxo-1H-quinoline-4-carboxamide IUPAC Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-2-oxo-1H-quinoline-4-carboxamide Traditional Name: N-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]-2-keto-1H-quinoline-4-carboxamide Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O2S/c1-29-21-25-24-18(26(21)14-7-2-3-8-14)11-6-12-22-20(28)16-13-19(27)23-17-10-5-4-9-15(16)17/h4-5,9-10,13-14H,2-3,6-8,11-12H2,1H3,(H,22,28)(H,23,27)