sodium benzenecarbonothioylsulfanyl 4-cyanopentanoate

Systemtic Name: sodium benzenecarbonothioylsulfanyl 4-cyanopentanoate Openeye Name: sodium benzenecarbonothioylsulfanyl 4-cyanopentanoate CAS Name: sodium 4-cyanopentanoic acid (benzenecarbonothioylthio) ester IUPAC Name: sodium benzenecarbonothioylsulfanyl 4-cyanopentanoate Traditional Name: sodium 4-cyanovaleric acid (benzenecarbonothioylthio) ester Formula: C13H13NNaO2S2+ MolecularWeight: 302.36759

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)OSC(=S)C1=CC=CC=C1)C#N.[Na+]

Isomeric SMILES

CC(CCC(=O)OSC(=S)C1=CC=CC=C1)C#N.[Na+]

InChI

InChI=1S/C13H13NO2S2.Na/c1-10(9-14)7-8-12(15)16-18-13(17)11-5-3-2-4-6-11;/h2-6,10H,7-8H2,1H3;/q;+1