[4-(4-cyanophenyl)phenyl] 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [4-(4-cyanophenyl)phenyl] 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [4-(4-cyanophenyl)phenyl] ester Formula: C21H14N2O4S MolecularWeight: 390.41186

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C21H14N2O4S/c1-28-20-11-8-17(12-19(20)23(25)26)21(24)27-18-9-6-16(7-10-18)15-4-2-14(13-22)3-5-15/h2-12H,1H3