1-cyanoethyl 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: 1-cyanoethyl 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: 1-cyanoethyl 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxylic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylic acid 1-cyanoethyl ester Formula: C16H13N3O2S MolecularWeight: 311.35832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OC(C)C#N)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OC(C)C#N)C3=CC=CC=C3

InChI

InChI=1S/C16H13N3O2S/c1-10(9-17)21-16(20)14-8-13-11(2)18-19(15(13)22-14)12-6-4-3-5-7-12/h3-8,10H,1-2H3