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

Systemtic Name: 2-azanyl-1-(4-bromanyl-2-fluoranyl-phenyl)-4-(5-methylthiophen-2-yl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-1-(4-bromo-2-fluoro-phenyl)-4-(5-methyl-2-thienyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-1-(4-bromo-2-fluorophenyl)-4-(5-methyl-2-thiophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-1-(4-bromo-2-fluorophenyl)-4-(5-methylthiophen-2-yl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-1-(4-bromo-2-fluoro-phenyl)-5-keto-4-(5-methyl-2-thienyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C21H17BrFN3OS MolecularWeight: 458.346583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrFN3OS/c1-11-5-8-18(28-11)19-13(10-24)21(25)26(15-7-6-12(22)9-14(15)23)16-3-2-4-17(27)20(16)19/h5-9,19H,2-4,25H2,1H3