2-[[5-[2-azanyl-3-cyano-4-(4-fluorophenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-fluorophenyl)ethanamide

Systemtic Name: 2-[[5-[2-azanyl-3-cyano-4-(4-fluorophenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-fluorophenyl)ethanamide Openeye Name: 2-[[5-[2-amino-3-cyano-4-(4-fluorophenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide CAS Name: 2-[[5-[2-amino-3-cyano-4-(4-fluorophenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]-N-(2-fluorophenyl)acetamide IUPAC Name: 2-[[5-[2-amino-3-cyano-4-(4-fluorophenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide Traditional Name: 2-[[5-[2-amino-3-cyano-4-(4-fluorophenyl)-5-keto-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]-N-(2-fluorophenyl)acetamide Formula: C26H20F2N6O2S2 MolecularWeight: 550.602806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(N2C3=NN=C(S3)SCC(=O)NC4=CC=CC=C4F)N)C#N)C5=CC=C(C=C5)F)C(=O)C1

Isomeric SMILES

C1CC2=C(C(C(=C(N2C3=NN=C(S3)SCC(=O)NC4=CC=CC=C4F)N)C#N)C5=CC=C(C=C5)F)C(=O)C1

InChI

InChI=1S/C26H20F2N6O2S2/c27-15-10-8-14(9-11-15)22-16(12-29)24(30)34(19-6-3-7-20(35)23(19)22)25-32-33-26(38-25)37-13-21(36)31-18-5-2-1-4-17(18)28/h1-2,4-5,8-11,22H,3,6-7,13,30H2,(H,31,36)