2-[2-(3-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(furan-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-[2-(3-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(furan-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-[2-(3-bromophenyl)-2-oxo-ethyl]sulfanyl-4-(2-furyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-[[2-(3-bromophenyl)-2-oxoethyl]thio]-4-(2-furanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-[2-(3-bromophenyl)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-[[2-(3-bromophenyl)-2-keto-ethyl]thio]-4-(2-furyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C22H17BrN2O2S MolecularWeight: 453.35158

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(C(=N2)SCC(=O)C3=CC(=CC=C3)Br)C#N)C4=CC=CO4

Isomeric SMILES

C1CCC2=C(C1)C(=C(C(=N2)SCC(=O)C3=CC(=CC=C3)Br)C#N)C4=CC=CO4

InChI

InChI=1S/C22H17BrN2O2S/c23-15-6-3-5-14(11-15)19(26)13-28-22-17(12-24)21(20-9-4-10-27-20)16-7-1-2-8-18(16)25-22/h3-6,9-11H,1-2,7-8,13H2