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

Systemtic Name: (4-cyanophenyl) 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: (4-cyanophenyl) 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid (4-cyanophenyl) ester Formula: C15H10N2O4S MolecularWeight: 314.3159

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)OC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C#N)OC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H10N2O4S/c16-9-11-1-5-13(6-2-11)21-15(18)10-22-14-7-3-12(4-8-14)17(19)20/h1-8H,10H2