3-[(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(2-chloro-7,8-dimethyl-3-quinolyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(2-chloro-7,8-dimethyl-3-quinolinyl)methylthio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(2-chloro-7,8-dimethylquinolin-3-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(2-chloro-7,8-dimethyl-3-quinolyl)methylthio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C17H19ClN4OS MolecularWeight: 362.87696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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