4-butyl-3-[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one

Systemtic Name: 4-butyl-3-[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[(2-chloro-7-methylsulfanyl-3-quinolyl)methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[[2-chloro-7-(methylthio)-3-quinolinyl]methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[(2-chloro-7-methylsulfanylquinolin-3-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[[2-chloro-7-(methylthio)-3-quinolyl]methylthio]-1H-1,2,4-triazol-5-one Formula: C17H19ClN4OS2 MolecularWeight: 394.94196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC2=C(N=C3C=C(C=CC3=C2)SC)Cl

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC2=C(N=C3C=C(C=CC3=C2)SC)Cl

InChI

InChI=1S/C17H19ClN4OS2/c1-3-4-7-22-16(23)20-21-17(22)25-10-12-8-11-5-6-13(24-2)9-14(11)19-15(12)18/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,20,23)