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

Systemtic Name: 2-[3-[(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-yl]ethanoate Openeye Name: 2-[3-[(2-chloro-7,8-dimethyl-3-quinolyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-yl]acetate CAS Name: 2-[3-[(2-chloro-7,8-dimethyl-3-quinolinyl)methylthio]-5-propyl-1,2,4-triazol-4-yl]acetate IUPAC Name: 2-[3-[(2-chloro-7,8-dimethylquinolin-3-yl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-yl]acetate Traditional Name: 2-[3-[(2-chloro-7,8-dimethyl-3-quinolyl)methylthio]-5-propyl-1,2,4-triazol-4-yl]acetate Formula: C19H20ClN4O2S- MolecularWeight: 403.9057

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CC(=O)[O-])SCC2=C(N=C3C(=C(C=CC3=C2)C)C)Cl

Isomeric SMILES

CCCC1=NN=C(N1CC(=O)[O-])SCC2=C(N=C3C(=C(C=CC3=C2)C)C)Cl

InChI

InChI=1S/C19H21ClN4O2S/c1-4-5-15-22-23-19(24(15)9-16(25)26)27-10-14-8-13-7-6-11(2)12(3)17(13)21-18(14)20/h6-8H,4-5,9-10H2,1-3H3,(H,25,26)/p-1