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

Systemtic Name: 2-azanyl-1-(4-bromophenyl)-4-(2,5-dimethylthiophen-3-yl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-1-(4-bromophenyl)-4-(2,5-dimethyl-3-thienyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-1-(4-bromophenyl)-4-(2,5-dimethyl-3-thiophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-1-(4-bromophenyl)-4-(2,5-dimethylthiophen-3-yl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-1-(4-bromophenyl)-4-(2,5-dimethyl-3-thienyl)-5-keto-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C22H20BrN3OS MolecularWeight: 454.3827

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20BrN3OS/c1-12-10-16(13(2)28-12)20-17(11-24)22(25)26(15-8-6-14(23)7-9-15)18-4-3-5-19(27)21(18)20/h6-10,20H,3-5,25H2,1-2H3