S-(cyanomethyl) 4-nitrobenzenecarbothioate

Systemtic Name: S-(cyanomethyl) 4-nitrobenzenecarbothioate Openeye Name: S-(cyanomethyl) 4-nitrobenzenecarbothioate CAS Name: 4-nitrobenzenecarbothioic acid S-(cyanomethyl) ester IUPAC Name: S-(cyanomethyl) 4-nitrobenzenecarbothioate Traditional Name: 4-nitrothiobenzoic acid S-(cyanomethyl) ester Formula: C9H6N2O3S MolecularWeight: 222.22054

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)SCC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)SCC#N)[N+](=O)[O-]

InChI

InChI=1S/C9H6N2O3S/c10-5-6-15-9(12)7-1-3-8(4-2-7)11(13)14/h1-4H,6H2