3-cyanopropyl 1-[(4-chlorophenyl)methyl]-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: 3-cyanopropyl 1-[(4-chlorophenyl)methyl]-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: 3-cyanopropyl 1-[(4-chlorophenyl)methyl]-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 1-[(4-chlorophenyl)methyl]-3-methyl-5-thieno[2,3-c]pyrazolecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 1-[(4-chlorophenyl)methyl]-3-methylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1-(4-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=C(C=C3)Cl

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCCCC#N)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H16ClN3O2S/c1-12-15-10-16(18(23)24-9-3-2-8-20)25-17(15)22(21-12)11-13-4-6-14(19)7-5-13/h4-7,10H,2-3,9,11H2,1H3