2-azanyl-4-(4-chlorophenyl)-7,7-dimethyl-5-oxidanylidene-1-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-(4-chlorophenyl)-7,7-dimethyl-5-oxidanylidene-1-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-1-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-1-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-1-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-(4-chlorophenyl)-5-keto-7,7-dimethyl-1-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C28H24ClN5O2S2 MolecularWeight: 562.10546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H24ClN5O2S2/c1-28(2)12-20-24(21(35)13-28)23(17-8-10-18(29)11-9-17)19(14-30)25(31)34(20)26-32-33-27(38-26)37-15-22(36)16-6-4-3-5-7-16/h3-11,23H,12-13,15,31H2,1-2H3