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

Systemtic Name: 2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-cyclopropyl-4-(furan-2-yl)pyridine-3-carbonitrile Openeye Name: 2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-6-cyclopropyl-4-(2-furyl)pyridine-3-carbonitrile CAS Name: 2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-6-cyclopropyl-4-(2-furanyl)-3-pyridinecarbonitrile IUPAC Name: 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-cyclopropyl-4-(furan-2-yl)pyridine-3-carbonitrile Traditional Name: 2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-6-cyclopropyl-4-(2-furyl)nicotinonitrile Formula: C21H15BrN2O2S MolecularWeight: 439.325

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15BrN2O2S/c22-15-7-5-14(6-8-15)19(25)12-27-21-17(11-23)16(20-2-1-9-26-20)10-18(24-21)13-3-4-13/h1-2,5-10,13H,3-4,12H2