2-[2-(4-cyanophenyl)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: 2-[2-(4-cyanophenyl)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: 2-[2-(4-cyanophenyl)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(4-cyanophenyl)-2-oxoethyl]thio]benzoate IUPAC Name: 2-[2-(4-cyanophenyl)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(4-cyanophenyl)-2-keto-ethyl]thio]benzoate Formula: C16H10NO3S- MolecularWeight: 296.3205

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)[O-])SCC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)[O-])SCC(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H11NO3S/c17-9-11-5-7-12(8-6-11)14(18)10-21-15-4-2-1-3-13(15)16(19)20/h1-8H,10H2,(H,19,20)/p-1