5-oxidanylidene-2-pyrrol-1-yl-4-thiophen-3-yl-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 5-oxidanylidene-2-pyrrol-1-yl-4-thiophen-3-yl-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 5-oxo-2-pyrrol-1-yl-4-(3-thienyl)-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 5-oxo-2-(1-pyrrolyl)-4-(3-thiophenyl)-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 5-oxo-2-pyrrol-1-yl-4-thiophen-3-yl-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 5-keto-2-pyrrol-1-yl-4-(3-thienyl)-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C25H18F3N3OS MolecularWeight: 465.49013

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(N2C3=CC=CC(=C3)C(F)(F)F)N4C=CC=C4)C#N)C5=CSC=C5)C(=O)C1

Isomeric SMILES

C1CC2=C(C(C(=C(N2C3=CC=CC(=C3)C(F)(F)F)N4C=CC=C4)C#N)C5=CSC=C5)C(=O)C1

InChI

InChI=1S/C25H18F3N3OS/c26-25(27,28)17-5-3-6-18(13-17)31-20-7-4-8-21(32)23(20)22(16-9-12-33-15-16)19(14-29)24(31)30-10-1-2-11-30/h1-3,5-6,9-13,15,22H,4,7-8H2