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

Systemtic Name: 2-azanyl-1-(4-bromanyl-2-fluoranyl-phenyl)-5-oxidanylidene-4-thiophen-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-1-(4-bromo-2-fluoro-phenyl)-5-oxo-4-(3-thienyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-1-(4-bromo-2-fluorophenyl)-5-oxo-4-(3-thiophenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-1-(4-bromo-2-fluorophenyl)-5-oxo-4-thiophen-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-1-(4-bromo-2-fluoro-phenyl)-5-keto-4-(3-thienyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C20H15BrFN3OS MolecularWeight: 444.320003

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(N2C3=C(C=C(C=C3)Br)F)N)C#N)C4=CSC=C4)C(=O)C1

Isomeric SMILES

C1CC2=C(C(C(=C(N2C3=C(C=C(C=C3)Br)F)N)C#N)C4=CSC=C4)C(=O)C1

InChI

InChI=1S/C20H15BrFN3OS/c21-12-4-5-15(14(22)8-12)25-16-2-1-3-17(26)19(16)18(11-6-7-27-10-11)13(9-23)20(25)24/h4-8,10,18H,1-3,24H2