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

Systemtic Name: 3-[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methylsulfanyl]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Openeye Name: 3-[(2-chloro-7-methylsulfanyl-3-quinolyl)methylsulfanyl]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-chloro-7-(methylthio)-3-quinolinyl]methylthio]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(2-chloro-7-methylsulfanylquinolin-3-yl)methylsulfanyl]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-chloro-7-(methylthio)-3-quinolyl]methylthio]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Formula: C17H19ClN4O2S2 MolecularWeight: 410.94136

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)NN=C1SCC2=C(N=C3C=C(C=CC3=C2)SC)Cl

Isomeric SMILES

COCCCN1C(=O)NN=C1SCC2=C(N=C3C=C(C=CC3=C2)SC)Cl

InChI

InChI=1S/C17H19ClN4O2S2/c1-24-7-3-6-22-16(23)20-21-17(22)26-10-12-8-11-4-5-13(25-2)9-14(11)19-15(12)18/h4-5,8-9H,3,6-7,10H2,1-2H3,(H,20,23)