methyl 2-[4-(4-chlorophenyl)-3-cyano-pyridin-2-yl]sulfanylbenzoate

Systemtic Name: methyl 2-[4-(4-chlorophenyl)-3-cyano-pyridin-2-yl]sulfanylbenzoate Openeye Name: methyl 2-[[4-(4-chlorophenyl)-3-cyano-2-pyridyl]sulfanyl]benzoate CAS Name: 2-[[4-(4-chlorophenyl)-3-cyano-2-pyridinyl]thio]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(4-chlorophenyl)-3-cyanopyridin-2-yl]sulfanylbenzoate Traditional Name: 2-[[4-(4-chlorophenyl)-3-cyano-2-pyridyl]thio]benzoic acid methyl ester Formula: C20H13ClN2O2S MolecularWeight: 380.84742

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1SC2=NC=CC(=C2C#N)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1SC2=NC=CC(=C2C#N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H13ClN2O2S/c1-25-20(24)16-4-2-3-5-18(16)26-19-17(12-22)15(10-11-23-19)13-6-8-14(21)9-7-13/h2-11H,1H3