2-azanyl-1-(4-bromanyl-2-fluoranyl-phenyl)-4-(2,5-dimethylthiophen-3-yl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-azanyl-1-(4-bromanyl-2-fluoranyl-phenyl)-4-(2,5-dimethylthiophen-3-yl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-1-(4-bromo-2-fluoro-phenyl)-4-(2,5-dimethyl-3-thienyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-1-(4-bromo-2-fluorophenyl)-4-(2,5-dimethyl-3-thiophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-1-(4-bromo-2-fluorophenyl)-4-(2,5-dimethylthiophen-3-yl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-1-(4-bromo-2-fluoro-phenyl)-4-(2,5-dimethyl-3-thienyl)-5-keto-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C22H19BrFN3OS MolecularWeight: 472.373163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C2C(=C(N(C3=C2C(=O)CCC3)C4=C(C=C(C=C4)Br)F)N)C#N

Isomeric SMILES

CC1=CC(=C(S1)C)C2C(=C(N(C3=C2C(=O)CCC3)C4=C(C=C(C=C4)Br)F)N)C#N

InChI

InChI=1S/C22H19BrFN3OS/c1-11-8-14(12(2)29-11)20-15(10-25)22(26)27(17-7-6-13(23)9-16(17)24)18-4-3-5-19(28)21(18)20/h6-9,20H,3-5,26H2,1-2H3