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

Systemtic Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-2-methyl-quinoline-4-carboxamide Openeye Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-2-methyl-quinoline-4-carboxamide CAS Name: N-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]-2-methyl-4-quinolinecarboxamide IUPAC Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-2-methylquinoline-4-carboxamide Traditional Name: N-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]-2-methyl-cinchoninamide Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)NCCCC3=NN=C(N3C4CCCC4)SC

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)NCCCC3=NN=C(N3C4CCCC4)SC

InChI

InChI=1S/C22H27N5OS/c1-15-14-18(17-10-5-6-11-19(17)24-15)21(28)23-13-7-12-20-25-26-22(29-2)27(20)16-8-3-4-9-16/h5-6,10-11,14,16H,3-4,7-9,12-13H2,1-2H3,(H,23,28)