2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-tert-butyl-4-(furan-2-yl)pyridine-3-carbonitrile

Systemtic Name: 2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-tert-butyl-4-(furan-2-yl)pyridine-3-carbonitrile Openeye Name: 2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-6-tert-butyl-4-(2-furyl)pyridine-3-carbonitrile CAS Name: 2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-6-tert-butyl-4-(2-furanyl)-3-pyridinecarbonitrile IUPAC Name: 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-tert-butyl-4-(furan-2-yl)pyridine-3-carbonitrile Traditional Name: 2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-6-tert-butyl-4-(2-furyl)nicotinonitrile Formula: C22H19BrN2O2S MolecularWeight: 455.36746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=C(C(=C1)C2=CC=CO2)C#N)SCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)(C)C1=NC(=C(C(=C1)C2=CC=CO2)C#N)SCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H19BrN2O2S/c1-22(2,3)20-11-16(19-5-4-10-27-19)17(12-24)21(25-20)28-13-18(26)14-6-8-15(23)9-7-14/h4-11H,13H2,1-3H3