2-azanyl-4-(5-bromanyl-2-fluoranyl-phenyl)-7,7-dimethyl-5-oxidanylidene-1-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-(5-bromanyl-2-fluoranyl-phenyl)-7,7-dimethyl-5-oxidanylidene-1-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-(5-bromo-2-fluoro-phenyl)-7,7-dimethyl-5-oxo-1-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-(5-bromo-2-fluorophenyl)-7,7-dimethyl-5-oxo-1-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-(5-bromo-2-fluorophenyl)-7,7-dimethyl-5-oxo-1-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-(5-bromo-2-fluoro-phenyl)-5-keto-7,7-dimethyl-1-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C20H17BrFN5OS2 MolecularWeight: 506.414283

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2C3=NNC(=S)S3)N)C#N)C4=C(C=CC(=C4)Br)F)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(N2C3=NNC(=S)S3)N)C#N)C4=C(C=CC(=C4)Br)F)C(=O)C1)C

InChI

InChI=1S/C20H17BrFN5OS2/c1-20(2)6-13-16(14(28)7-20)15(10-5-9(21)3-4-12(10)22)11(8-23)17(24)27(13)18-25-26-19(29)30-18/h3-5,15H,6-7,24H2,1-2H3,(H,26,29)