[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate

Systemtic Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate Openeye Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propyl] 4-(5-methylsulfanyl-2-thioxo-1,3,4-thiadiazol-3-yl)benzoate CAS Name: 4-[5-(methylthio)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]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] 4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate Traditional Name: 4-[5-(methylthio)-2-thioxo-1,3,4-thiadiazol-3-yl]benzoic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C21H15N5O3S3 MolecularWeight: 481.5705

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C(=S)S1)C2=CC=C(C=C2)C(=O)OCC(=O)C(=C3NC4=CC=CC=C4N3)C#N

Isomeric SMILES

CSC1=NN(C(=S)S1)C2=CC=C(C=C2)C(=O)OCC(=O)C(=C3NC4=CC=CC=C4N3)C#N

InChI

InChI=1S/C21H15N5O3S3/c1-31-20-25-26(21(30)32-20)13-8-6-12(7-9-13)19(28)29-11-17(27)14(10-22)18-23-15-4-2-3-5-16(15)24-18/h2-9,23-24H,11H2,1H3