[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 3-nitro-4-phenylsulfanyl-benzoate

Systemtic Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 3-nitro-4-phenylsulfanyl-benzoate Openeye Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propyl] 3-nitro-4-phenylsulfanyl-benzoate CAS Name: 3-nitro-4-(phenylthio)benzoic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] 3-nitro-4-phenylsulfanylbenzoate Traditional Name: 3-nitro-4-(phenylthio)benzoic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C24H16N4O5S MolecularWeight: 472.47264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)OCC(=O)C(=C3NC4=CC=CC=C4N3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)OCC(=O)C(=C3NC4=CC=CC=C4N3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C24H16N4O5S/c25-13-17(23-26-18-8-4-5-9-19(18)27-23)21(29)14-33-24(30)15-10-11-22(20(12-15)28(31)32)34-16-6-2-1-3-7-16/h1-12,26-27H,14H2