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

Systemtic Name: 2-[[5-[2-azanyl-4-(4-chlorophenyl)-3-cyano-5-oxidanylidene-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-bromophenyl)ethanamide Openeye Name: 2-[[5-[2-amino-4-(4-chlorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-bromophenyl)acetamide CAS Name: 2-[[5-[2-amino-4-(4-chlorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]-N-(3-bromophenyl)acetamide IUPAC Name: 2-[[5-[2-amino-4-(4-chlorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-bromophenyl)acetamide Traditional Name: 2-[[5-[2-amino-4-(4-chlorophenyl)-3-cyano-5-keto-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]-N-(3-bromophenyl)acetamide Formula: C26H20BrClN6O2S2 MolecularWeight: 627.963

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(N2C3=NN=C(S3)SCC(=O)NC4=CC(=CC=C4)Br)N)C#N)C5=CC=C(C=C5)Cl)C(=O)C1

Isomeric SMILES

C1CC2=C(C(C(=C(N2C3=NN=C(S3)SCC(=O)NC4=CC(=CC=C4)Br)N)C#N)C5=CC=C(C=C5)Cl)C(=O)C1

InChI

InChI=1S/C26H20BrClN6O2S2/c27-15-3-1-4-17(11-15)31-21(36)13-37-26-33-32-25(38-26)34-19-5-2-6-20(35)23(19)22(18(12-29)24(34)30)14-7-9-16(28)10-8-14/h1,3-4,7-11,22H,2,5-6,13,30H2,(H,31,36)