(1-propyl-1,2,3,4-tetrazol-5-yl)methyl 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate Openeye Name: (1-propyltetrazol-5-yl)methyl 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylate CAS Name: 2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl 2-phenyl-5-thiophen-2-ylpyrazole-3-carboxylate Traditional Name: 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylic acid (1-propyltetrazol-5-yl)methyl ester Formula: C19H18N6O2S MolecularWeight: 394.45022

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)COC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CCCN1C(=NN=N1)COC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C19H18N6O2S/c1-2-10-24-18(20-22-23-24)13-27-19(26)16-12-15(17-9-6-11-28-17)21-25(16)14-7-4-3-5-8-14/h3-9,11-12H,2,10,13H2,1H3