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

Systemtic Name: 2-azanyl-4-(4-bromanylthiophen-2-yl)-1-(2-methylphenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-(4-bromo-2-thienyl)-1-(o-tolyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-(4-bromo-2-thiophenyl)-1-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-(4-bromothiophen-2-yl)-1-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-(4-bromo-2-thienyl)-5-keto-1-(o-tolyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C21H18BrN3OS MolecularWeight: 440.35612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C3=C(C(C(=C2N)C#N)C4=CC(=CS4)Br)C(=O)CCC3

Isomeric SMILES

CC1=CC=CC=C1N2C3=C(C(C(=C2N)C#N)C4=CC(=CS4)Br)C(=O)CCC3

InChI

InChI=1S/C21H18BrN3OS/c1-12-5-2-3-6-15(12)25-16-7-4-8-17(26)20(16)19(14(10-23)21(25)24)18-9-13(22)11-27-18/h2-3,5-6,9,11,19H,4,7-8,24H2,1H3