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

Systemtic Name: 2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-pyridin-3-yl-pyridine-3-carbonitrile Openeye Name: 2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-6-(3-pyridyl)pyridine-3-carbonitrile CAS Name: 2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-6-(3-pyridinyl)-3-pyridinecarbonitrile IUPAC Name: 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-pyridin-3-ylpyridine-3-carbonitrile Traditional Name: 2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-6-(3-pyridyl)nicotinonitrile Formula: C19H12BrN3OS MolecularWeight: 410.28708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H12BrN3OS/c20-16-6-3-13(4-7-16)18(24)12-25-19-14(10-21)5-8-17(23-19)15-2-1-9-22-11-15/h1-9,11H,12H2