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

Systemtic Name: 3-[5-[(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[(2-chloro-7,8-dimethyl-3-quinolyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[(2-chloro-7,8-dimethyl-3-quinolinyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[(2-chloro-7,8-dimethylquinolin-3-yl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[(2-chloro-7,8-dimethyl-3-quinolyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]propionamide Formula: C19H22ClN5OS MolecularWeight: 403.92888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C(N=C3C(=C(C=CC3=C2)C)C)Cl)CCC(=O)N

Isomeric SMILES

CCN1C(=NN=C1SCC2=C(N=C3C(=C(C=CC3=C2)C)C)Cl)CCC(=O)N

InChI

InChI=1S/C19H22ClN5OS/c1-4-25-16(8-7-15(21)26)23-24-19(25)27-10-14-9-13-6-5-11(2)12(3)17(13)22-18(14)20/h5-6,9H,4,7-8,10H2,1-3H3,(H2,21,26)