methyl 2-[[5-[5-[3,5-bis(chloranyl)-4-cyano-phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]isoquinolin-8-yl]carbonylamino]ethanedithioate

Systemtic Name: methyl 2-[[5-[5-[3,5-bis(chloranyl)-4-cyano-phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]isoquinolin-8-yl]carbonylamino]ethanedithioate Openeye Name: methyl 2-[[5-[5-(3,5-dichloro-4-cyano-phenyl)-5-(trifluoromethyl)-4H-isoxazol-3-yl]isoquinoline-8-carbonyl]amino]ethanedithioate CAS Name: 2-[[[5-[5-(3,5-dichloro-4-cyanophenyl)-5-(trifluoromethyl)-4H-isoxazol-3-yl]-8-isoquinolinyl]-oxomethyl]amino]ethanedithioic acid methyl ester IUPAC Name: methyl 2-[[5-[5-(3,5-dichloro-4-cyanophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]isoquinoline-8-carbonyl]amino]ethanedithioate Traditional Name: 2-[[5-[5-(3,5-dichloro-4-cyano-phenyl)-5-(trifluoromethyl)-2-isoxazolin-3-yl]isoquinoline-8-carbonyl]amino]ethanedithioic acid methyl ester Formula: C24H15Cl2F3N4O2S2 MolecularWeight: 583.43271

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC(=S)CNC(=O)C1=C2C=NC=CC2=C(C=C1)C3=NOC(C3)(C4=CC(=C(C(=C4)Cl)C#N)Cl)C(F)(F)F

Isomeric SMILES

CSC(=S)CNC(=O)C1=C2C=NC=CC2=C(C=C1)C3=NOC(C3)(C4=CC(=C(C(=C4)Cl)C#N)Cl)C(F)(F)F

InChI

InChI=1S/C24H15Cl2F3N4O2S2/c1-37-21(36)11-32-22(34)15-3-2-14(13-4-5-31-10-17(13)15)20-8-23(35-33-20,24(27,28)29)12-6-18(25)16(9-30)19(26)7-12/h2-7,10H,8,11H2,1H3,(H,32,34)