3-cyanopropyl 1-[(2-chlorophenyl)methyl]-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: 3-cyanopropyl 1-[(2-chlorophenyl)methyl]-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: 3-cyanopropyl 1-[(2-chlorophenyl)methyl]-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 1-[(2-chlorophenyl)methyl]-3-methyl-5-thieno[2,3-c]pyrazolecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 1-[(2-chlorophenyl)methyl]-3-methylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1-(2-chlorobenzyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylic acid 3-cyanopropyl ester Formula: C18H16ClN3O2S MolecularWeight: 373.85654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OCCCC#N)CC3=CC=CC=C3Cl

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCCCC#N)CC3=CC=CC=C3Cl

InChI

InChI=1S/C18H16ClN3O2S/c1-12-14-10-16(18(23)24-9-5-4-8-20)25-17(14)22(21-12)11-13-6-2-3-7-15(13)19/h2-3,6-7,10H,4-5,9,11H2,1H3