(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylate Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylate CAS Name: 1,3-dimethyl-5-thieno[2,3-c]pyrazolecarboxylic acid (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylic acid (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C19H17ClN4O2S MolecularWeight: 400.88188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OCC3=C(N(N=C3C)C4=CC=CC=C4)Cl)C

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCC3=C(N(N=C3C)C4=CC=CC=C4)Cl)C

InChI

InChI=1S/C19H17ClN4O2S/c1-11-14-9-16(27-18(14)23(3)21-11)19(25)26-10-15-12(2)22-24(17(15)20)13-7-5-4-6-8-13/h4-9H,10H2,1-3H3