cyanomethyl 2-(4-nitrophenyl)sulfanylethanoate

Systemtic Name: cyanomethyl 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: cyanomethyl 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid cyanomethyl ester Formula: C10H8N2O4S MolecularWeight: 252.24652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H8N2O4S/c11-5-6-16-10(13)7-17-9-3-1-8(2-4-9)12(14)15/h1-4H,6-7H2