S-methylsulfanyl 4-nitrobenzenecarbothioate

Systemtic Name: S-methylsulfanyl 4-nitrobenzenecarbothioate Openeye Name: S-methylsulfanyl 4-nitrobenzenecarbothioate CAS Name: 4-nitrobenzenecarbothioic acid S-(methylthio) ester IUPAC Name: S-methylsulfanyl 4-nitrobenzenecarbothioate Traditional Name: 4-nitrothiobenzoic acid S-(methylthio) ester Formula: C8H7NO3S2 MolecularWeight: 229.27608

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Descriptors Computed from Structure

Canonical SMILES:

CSSC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CSSC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C8H7NO3S2/c1-13-14-8(10)6-2-4-7(5-3-6)9(11)12/h2-5H,1H3