[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxo-propyl] 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylate CAS Name: 1,3-dimethyl-5-thieno[2,3-c]pyrazolecarboxylic acid [3-cyano-3-(1,3-dimethyl-2-benzimidazolylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxopropyl] 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylic acid [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C21H19N5O3S MolecularWeight: 421.47226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OCC(=O)C(=C3N(C4=CC=CC=C4N3C)C)C#N)C

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCC(=O)C(=C3N(C4=CC=CC=C4N3C)C)C#N)C

InChI

InChI=1S/C21H19N5O3S/c1-12-13-9-18(30-20(13)26(4)23-12)21(28)29-11-17(27)14(10-22)19-24(2)15-7-5-6-8-16(15)25(19)3/h5-9H,11H2,1-4H3