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

Systemtic Name: 2-[[5-[2-azanyl-4-[2,6-bis(chloranyl)phenyl]-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(5-chloranylpyridin-2-yl)ethanamide Openeye Name: 2-[[5-[2-amino-3-cyano-4-(2,6-dichlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(5-chloro-2-pyridyl)acetamide CAS Name: 2-[[5-[2-amino-3-cyano-4-(2,6-dichlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]-N-(5-chloro-2-pyridinyl)acetamide IUPAC Name: 2-[[5-[2-amino-3-cyano-4-(2,6-dichlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(5-chloropyridin-2-yl)acetamide Traditional Name: 2-[[5-[2-amino-3-cyano-4-(2,6-dichlorophenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]-N-(5-chloro-2-pyridyl)acetamide Formula: C27H22Cl3N7O2S2 MolecularWeight: 646.99828

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2C3=NN=C(S3)SCC(=O)NC4=NC=C(C=C4)Cl)N)C#N)C5=C(C=CC=C5Cl)Cl)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(N2C3=NN=C(S3)SCC(=O)NC4=NC=C(C=C4)Cl)N)C#N)C5=C(C=CC=C5Cl)Cl)C(=O)C1)C

InChI

InChI=1S/C27H22Cl3N7O2S2/c1-27(2)8-17-23(18(38)9-27)21(22-15(29)4-3-5-16(22)30)14(10-31)24(32)37(17)25-35-36-26(41-25)40-12-20(39)34-19-7-6-13(28)11-33-19/h3-7,11,21H,8-9,12,32H2,1-2H3,(H,33,34,39)