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

Systemtic Name: [4-(4-cyanophenyl)phenyl] 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: [4-(4-cyanophenyl)phenyl] 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-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(=CC=C1C#N)C2=CC=C(C=C2)OC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C#N)C2=CC=C(C=C2)OC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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