(1-butyl-1,2,3,4-tetrazol-5-yl)methyl 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate Openeye Name: (1-butyltetrazol-5-yl)methyl 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid (1-butyltetrazol-5-yl)methyl ester Formula: C16H17ClN6O2 MolecularWeight: 360.79818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)COC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCN1C(=NN=N1)COC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H17ClN6O2/c1-2-3-8-23-15(20-21-22-23)10-25-16(24)14-9-13(18-19-14)11-4-6-12(17)7-5-11/h4-7,9H,2-3,8,10H2,1H3,(H,18,19)