2-azanyl-4-(2-chloranyl-6-fluoranyl-phenyl)-7,7-dimethyl-5-oxidanylidene-1-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-6,8-dihydro-4H-quinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-(2-chloranyl-6-fluoranyl-phenyl)-7,7-dimethyl-5-oxidanylidene-1-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(2-chloro-6-fluoro-phenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-(2-chloro-6-fluorophenyl)-7,7-dimethyl-5-oxo-1-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(2-chloro-6-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-1-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-4-(2-chloro-6-fluoro-phenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C27H23ClFN5OS2 MolecularWeight: 552.085823

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2C3=NN=C(S3)SCC4=CC=CC=C4)N)C#N)C5=C(C=CC=C5Cl)F)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(N2C3=NN=C(S3)SCC4=CC=CC=C4)N)C#N)C5=C(C=CC=C5Cl)F)C(=O)C1)C

InChI

InChI=1S/C27H23ClFN5OS2/c1-27(2)11-19-23(20(35)12-27)21(22-17(28)9-6-10-18(22)29)16(13-30)24(31)34(19)25-32-33-26(37-25)36-14-15-7-4-3-5-8-15/h3-10,21H,11-12,14,31H2,1-2H3