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

Systemtic Name: 2-azanyl-4-(4-bromanyl-5-methyl-thiophen-2-yl)-1-(3-chloranyl-4-fluoranyl-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-(4-bromo-5-methyl-2-thienyl)-1-(3-chloro-4-fluoro-phenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-(4-bromo-5-methyl-2-thiophenyl)-1-(3-chloro-4-fluorophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-(4-bromo-5-methylthiophen-2-yl)-1-(3-chloro-4-fluorophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-(4-bromo-5-methyl-2-thienyl)-1-(3-chloro-4-fluoro-phenyl)-5-keto-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C21H16BrClFN3OS MolecularWeight: 492.791643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16BrClFN3OS/c1-10-13(22)8-18(29-10)19-12(9-25)21(26)27(11-5-6-15(24)14(23)7-11)16-3-2-4-17(28)20(16)19/h5-8,19H,2-4,26H2,1H3