2-[[5-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-4-pyridin-3-yl-6,8-dihydro-4H-quinolin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-chloranyl-5-nitro-phenyl)ethanamide

Systemtic Name: 2-[[5-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-4-pyridin-3-yl-6,8-dihydro-4H-quinolin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-chloranyl-5-nitro-phenyl)ethanamide Openeye Name: 2-[[5-[2-amino-3-cyano-7,7-dimethyl-5-oxo-4-(3-pyridyl)-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-chloro-5-nitro-phenyl)acetamide CAS Name: 2-[[5-[2-amino-3-cyano-7,7-dimethyl-5-oxo-4-(3-pyridinyl)-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]-N-(2-chloro-5-nitrophenyl)acetamide IUPAC Name: 2-[[5-(2-amino-3-cyano-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinolin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-chloro-5-nitrophenyl)acetamide Traditional Name: 2-[[5-[2-amino-3-cyano-5-keto-7,7-dimethyl-4-(3-pyridyl)-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]-N-(2-chloro-5-nitro-phenyl)acetamide Formula: C27H23ClN8O4S2 MolecularWeight: 623.10572

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2C3=NN=C(S3)SCC(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])Cl)N)C#N)C5=CN=CC=C5)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(N2C3=NN=C(S3)SCC(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])Cl)N)C#N)C5=CN=CC=C5)C(=O)C1)C

InChI

InChI=1S/C27H23ClN8O4S2/c1-27(2)9-19-23(20(37)10-27)22(14-4-3-7-31-12-14)16(11-29)24(30)35(19)25-33-34-26(42-25)41-13-21(38)32-18-8-15(36(39)40)5-6-17(18)28/h3-8,12,22H,9-10,13,30H2,1-2H3,(H,32,38)