2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-cyclopropyl-6-(furan-2-yl)benzenecarbonitrile

Systemtic Name: 2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-cyclopropyl-6-(furan-2-yl)benzenecarbonitrile Openeye Name: 2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-4-cyclopropyl-6-(2-furyl)benzonitrile CAS Name: 2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-4-cyclopropyl-6-(2-furanyl)benzonitrile IUPAC Name: 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-cyclopropyl-6-(furan-2-yl)benzonitrile Traditional Name: 2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-4-cyclopropyl-6-(2-furyl)benzonitrile Formula: C22H16BrNO2S MolecularWeight: 438.33694

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CC(=C(C(=C2)C3=CC=CO3)C#N)SCC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CC1C2=CC(=C(C(=C2)C3=CC=CO3)C#N)SCC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H16BrNO2S/c23-17-7-5-15(6-8-17)20(25)13-27-22-11-16(14-3-4-14)10-18(19(22)12-24)21-2-1-9-26-21/h1-2,5-11,14H,3-4,13H2