(3-cyanophenyl)methyl 2-(4-nitrophenyl)sulfanylethanoate

Systemtic Name: (3-cyanophenyl)methyl 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: (3-cyanophenyl)methyl 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid (3-cyanobenzyl) ester Formula: C16H12N2O4S MolecularWeight: 328.34248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC(=C1)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C16H12N2O4S/c17-9-12-2-1-3-13(8-12)10-22-16(19)11-23-15-6-4-14(5-7-15)18(20)21/h1-8H,10-11H2