4-butyl-3-[(3-chloranyl-4-methyl-quinolin-2-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one

Systemtic Name: 4-butyl-3-[(3-chloranyl-4-methyl-quinolin-2-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[(3-chloro-4-methyl-2-quinolyl)methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[(3-chloro-4-methyl-2-quinolinyl)methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[(3-chloro-4-methylquinolin-2-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[(3-chloro-4-methyl-2-quinolyl)methylthio]-1H-1,2,4-triazol-5-one Formula: C17H19ClN4OS MolecularWeight: 362.87696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC2=NC3=CC=CC=C3C(=C2Cl)C

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC2=NC3=CC=CC=C3C(=C2Cl)C

InChI

InChI=1S/C17H19ClN4OS/c1-3-4-9-22-16(23)20-21-17(22)24-10-14-15(18)11(2)12-7-5-6-8-13(12)19-14/h5-8H,3-4,9-10H2,1-2H3,(H,20,23)