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

Systemtic Name: 3-[3-[(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-[(2-chloro-7,8-dimethyl-3-quinolyl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-[(2-chloro-7,8-dimethyl-3-quinolinyl)methylthio]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-[(2-chloro-7,8-dimethylquinolin-3-yl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-[(2-chloro-7,8-dimethyl-3-quinolyl)methylthio]-5-cyclopropyl-1,2,4-triazol-4-yl]propionamide Formula: C20H22ClN5OS MolecularWeight: 415.93958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)CSC3=NN=C(N3CCC(=O)N)C4CC4)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)CSC3=NN=C(N3CCC(=O)N)C4CC4)Cl)C

InChI

InChI=1S/C20H22ClN5OS/c1-11-3-4-14-9-15(18(21)23-17(14)12(11)2)10-28-20-25-24-19(13-5-6-13)26(20)8-7-16(22)27/h3-4,9,13H,5-8,10H2,1-2H3,(H2,22,27)