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

Systemtic Name: 2-azanyl-4-(4-bromanyl-5-methyl-thiophen-2-yl)-1-(3-methylphenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-(4-bromo-5-methyl-2-thienyl)-1-(m-tolyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-(4-bromo-5-methyl-2-thiophenyl)-1-(3-methylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-(4-bromo-5-methylthiophen-2-yl)-1-(3-methylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-(4-bromo-5-methyl-2-thienyl)-5-keto-1-(m-tolyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C22H20BrN3OS MolecularWeight: 454.3827

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C3=C(C(C(=C2N)C#N)C4=CC(=C(S4)C)Br)C(=O)CCC3

Isomeric SMILES

CC1=CC(=CC=C1)N2C3=C(C(C(=C2N)C#N)C4=CC(=C(S4)C)Br)C(=O)CCC3

InChI

InChI=1S/C22H20BrN3OS/c1-12-5-3-6-14(9-12)26-17-7-4-8-18(27)21(17)20(15(11-24)22(26)25)19-10-16(23)13(2)28-19/h3,5-6,9-10,20H,4,7-8,25H2,1-2H3