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

Systemtic Name: 2-[[5-[2-azanyl-3-cyano-4-(4-ethoxyphenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-chloranyl-3-nitro-phenyl)ethanamide Openeye Name: 2-[[5-[2-amino-3-cyano-4-(4-ethoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-chloro-3-nitro-phenyl)acetamide CAS Name: 2-[[5-[2-amino-3-cyano-4-(4-ethoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]-N-(4-chloro-3-nitrophenyl)acetamide IUPAC Name: 2-[[5-[2-amino-3-cyano-4-(4-ethoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-chloro-3-nitrophenyl)acetamide Traditional Name: 2-[[5-(2-amino-3-cyano-5-keto-4-p-phenetyl-4,6,7,8-tetrahydroquinolin-1-yl)-1,3,4-thiadiazol-2-yl]thio]-N-(4-chloro-3-nitro-phenyl)acetamide Formula: C28H24ClN7O5S2 MolecularWeight: 638.11706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=NN=C(S4)SCC(=O)NC5=CC(=C(C=C5)Cl)[N+](=O)[O-])N)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=NN=C(S4)SCC(=O)NC5=CC(=C(C=C5)Cl)[N+](=O)[O-])N)C#N

InChI

InChI=1S/C28H24ClN7O5S2/c1-2-41-17-9-6-15(7-10-17)24-18(13-30)26(31)35(20-4-3-5-22(37)25(20)24)27-33-34-28(43-27)42-14-23(38)32-16-8-11-19(29)21(12-16)36(39)40/h6-12,24H,2-5,14,31H2,1H3,(H,32,38)