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

Systemtic Name: 2-[[5-[2-azanyl-3-cyano-4-(4-ethylphenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(5-fluoranyl-2-methyl-phenyl)ethanamide Openeye Name: 2-[[5-[2-amino-3-cyano-4-(4-ethylphenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(5-fluoro-2-methyl-phenyl)acetamide CAS Name: 2-[[5-[2-amino-3-cyano-4-(4-ethylphenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]-N-(5-fluoro-2-methylphenyl)acetamide IUPAC Name: 2-[[5-[2-amino-3-cyano-4-(4-ethylphenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(5-fluoro-2-methylphenyl)acetamide Traditional Name: 2-[[5-[2-amino-3-cyano-4-(4-ethylphenyl)-5-keto-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]-N-(5-fluoro-2-methyl-phenyl)acetamide Formula: C29H27FN6O2S2 MolecularWeight: 574.692083

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=NN=C(S4)SCC(=O)NC5=C(C=CC(=C5)F)C)N)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=NN=C(S4)SCC(=O)NC5=C(C=CC(=C5)F)C)N)C#N

InChI

InChI=1S/C29H27FN6O2S2/c1-3-17-8-10-18(11-9-17)25-20(14-31)27(32)36(22-5-4-6-23(37)26(22)25)28-34-35-29(40-28)39-15-24(38)33-21-13-19(30)12-7-16(21)2/h7-13,25H,3-6,15,32H2,1-2H3,(H,33,38)