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

Systemtic Name: 3-[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(2-chloro-7-methylsulfanyl-3-quinolyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-chloro-7-(methylthio)-3-quinolinyl]methylthio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(2-chloro-7-methylsulfanylquinolin-3-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-chloro-7-(methylthio)-3-quinolyl]methylthio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C16H17ClN4OS2 MolecularWeight: 380.91538

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=C(N=C3C=C(C=CC3=C2)SC)Cl

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=C(N=C3C=C(C=CC3=C2)SC)Cl

InChI

InChI=1S/C16H17ClN4OS2/c1-3-6-21-15(22)19-20-16(21)24-9-11-7-10-4-5-12(23-2)8-13(10)18-14(11)17/h4-5,7-8H,3,6,9H2,1-2H3,(H,19,22)