methyl 2-[6-(4-bromophenyl)-3-cyano-4-thiophen-2-yl-pyridin-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[6-(4-bromophenyl)-3-cyano-4-thiophen-2-yl-pyridin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[[6-(4-bromophenyl)-3-cyano-4-(2-thienyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[6-(4-bromophenyl)-3-cyano-4-thiophen-2-yl-2-pyridinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[6-(4-bromophenyl)-3-cyano-4-thiophen-2-ylpyridin-2-yl]sulfanylacetate Traditional Name: 2-[[6-(4-bromophenyl)-3-cyano-4-(2-thienyl)-2-pyridyl]thio]acetic acid methyl ester Formula: C19H13BrN2O2S2 MolecularWeight: 445.35272

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C(C(=CC(=N1)C2=CC=C(C=C2)Br)C3=CC=CS3)C#N

Isomeric SMILES

COC(=O)CSC1=C(C(=CC(=N1)C2=CC=C(C=C2)Br)C3=CC=CS3)C#N

InChI

InChI=1S/C19H13BrN2O2S2/c1-24-18(23)11-26-19-15(10-21)14(17-3-2-8-25-17)9-16(22-19)12-4-6-13(20)7-5-12/h2-9H,11H2,1H3