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

Systemtic Name: 1-(4-bromanyl-2-methyl-phenyl)-5-oxidanylidene-2-pyrrol-1-yl-4-thiophen-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 1-(4-bromo-2-methyl-phenyl)-5-oxo-2-pyrrol-1-yl-4-(3-thienyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 1-(4-bromo-2-methylphenyl)-5-oxo-2-(1-pyrrolyl)-4-(3-thiophenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 1-(4-bromo-2-methylphenyl)-5-oxo-2-pyrrol-1-yl-4-thiophen-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 1-(4-bromo-2-methyl-phenyl)-5-keto-2-pyrrol-1-yl-4-(3-thienyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C25H20BrN3OS MolecularWeight: 490.4148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)N2C3=C(C(C(=C2N4C=CC=C4)C#N)C5=CSC=C5)C(=O)CCC3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)N2C3=C(C(C(=C2N4C=CC=C4)C#N)C5=CSC=C5)C(=O)CCC3

InChI

InChI=1S/C25H20BrN3OS/c1-16-13-18(26)7-8-20(16)29-21-5-4-6-22(30)24(21)23(17-9-12-31-15-17)19(14-27)25(29)28-10-2-3-11-28/h2-3,7-13,15,23H,4-6H2,1H3