[4-(4-cyanophenyl)phenyl] 2-(2-nitrophenyl)sulfanylethanoate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 2-(2-nitrophenyl)sulfanylethanoate Openeye Name: [4-(4-cyanophenyl)phenyl] 2-(2-nitrophenyl)sulfanylacetate CAS Name: 2-[(2-nitrophenyl)thio]acetic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 2-(2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(2-nitrophenyl)thio]acetic acid [4-(4-cyanophenyl)phenyl] ester Formula: C21H14N2O4S MolecularWeight: 390.41186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])SCC(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])SCC(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H14N2O4S/c22-13-15-5-7-16(8-6-15)17-9-11-18(12-10-17)27-21(24)14-28-20-4-2-1-3-19(20)23(25)26/h1-12H,14H2