3-cyanopropyl 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: 3-cyanopropyl 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylate Openeye Name: 3-cyanopropyl 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylate CAS Name: 1,3-dimethyl-5-thieno[2,3-c]pyrazolecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylic acid 3-cyanopropyl ester Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OCCCC#N)C

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCCCC#N)C

InChI

InChI=1S/C12H13N3O2S/c1-8-9-7-10(18-11(9)15(2)14-8)12(16)17-6-4-3-5-13/h7H,3-4,6H2,1-2H3