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

Systemtic Name: 2-azanyl-4-(4-bromanylthiophen-2-yl)-1-(5-chloranyl-2-methyl-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-(4-bromo-2-thienyl)-1-(5-chloro-2-methyl-phenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-(4-bromo-2-thiophenyl)-1-(5-chloro-2-methylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-(4-bromothiophen-2-yl)-1-(5-chloro-2-methylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-(4-bromo-2-thienyl)-1-(5-chloro-2-methyl-phenyl)-5-keto-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C21H17BrClN3OS MolecularWeight: 474.80118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2C3=C(C(C(=C2N)C#N)C4=CC(=CS4)Br)C(=O)CCC3

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2C3=C(C(C(=C2N)C#N)C4=CC(=CS4)Br)C(=O)CCC3

InChI

InChI=1S/C21H17BrClN3OS/c1-11-5-6-13(23)8-16(11)26-15-3-2-4-17(27)20(15)19(14(9-24)21(26)25)18-7-12(22)10-28-18/h5-8,10,19H,2-4,25H2,1H3