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

Systemtic Name: 2-azanyl-4-(4-bromanyl-5-ethyl-thiophen-2-yl)-1-(4-fluoranyl-2-nitro-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-(4-bromo-5-ethyl-2-thienyl)-1-(4-fluoro-2-nitro-phenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-(4-bromo-5-ethyl-2-thiophenyl)-1-(4-fluoro-2-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-(4-bromo-5-ethylthiophen-2-yl)-1-(4-fluoro-2-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-(4-bromo-5-ethyl-2-thienyl)-1-(4-fluoro-2-nitro-phenyl)-5-keto-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C22H18BrFN4O3S MolecularWeight: 517.370723

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C2C(=C(N(C3=C2C(=O)CCC3)C4=C(C=C(C=C4)F)[N+](=O)[O-])N)C#N)Br

Isomeric SMILES

CCC1=C(C=C(S1)C2C(=C(N(C3=C2C(=O)CCC3)C4=C(C=C(C=C4)F)[N+](=O)[O-])N)C#N)Br

InChI

InChI=1S/C22H18BrFN4O3S/c1-2-18-13(23)9-19(32-18)20-12(10-25)22(26)27(15-4-3-5-17(29)21(15)20)14-7-6-11(24)8-16(14)28(30)31/h6-9,20H,2-5,26H2,1H3