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

Systemtic Name: 2-[[5-[2-azanyl-3-cyano-4-(5-methylthiophen-2-yl)-5-oxidanylidene-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[[5-[2-amino-3-cyano-4-(5-methyl-2-thienyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide CAS Name: 2-[[5-[2-amino-3-cyano-4-(5-methyl-2-thiophenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[[5-[2-amino-3-cyano-4-(5-methylthiophen-2-yl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[[5-[2-amino-3-cyano-5-keto-4-(5-methyl-2-thienyl)-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]-N-(4-fluorophenyl)acetamide Formula: C25H21FN6O2S3 MolecularWeight: 552.666643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2C(=C(N(C3=C2C(=O)CCC3)C4=NN=C(S4)SCC(=O)NC5=CC=C(C=C5)F)N)C#N

Isomeric SMILES

CC1=CC=C(S1)C2C(=C(N(C3=C2C(=O)CCC3)C4=NN=C(S4)SCC(=O)NC5=CC=C(C=C5)F)N)C#N

InChI

InChI=1S/C25H21FN6O2S3/c1-13-5-10-19(36-13)21-16(11-27)23(28)32(17-3-2-4-18(33)22(17)21)24-30-31-25(37-24)35-12-20(34)29-15-8-6-14(26)7-9-15/h5-10,21H,2-4,12,28H2,1H3,(H,29,34)