N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-5-thiophen-2-yl-pyrazole-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-5-thiophen-2-yl-pyrazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-5-(2-thienyl)pyrazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-5-thiophen-2-yl-3-pyrazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-5-thiophen-2-ylpyrazole-3-carboxamide Traditional Name: 2-(4-chlorophenyl)-N-piperonyl-5-(2-thienyl)pyrazole-3-carboxamide Formula: C22H16ClN3O3S MolecularWeight: 437.89874

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC(=NN3C4=CC=C(C=C4)Cl)C5=CC=CS5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC(=NN3C4=CC=C(C=C4)Cl)C5=CC=CS5

InChI

InChI=1S/C22H16ClN3O3S/c23-15-4-6-16(7-5-15)26-18(11-17(25-26)21-2-1-9-30-21)22(27)24-12-14-3-8-19-20(10-14)29-13-28-19/h1-11H,12-13H2,(H,24,27)