N-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)-1,3-benzodioxole-4-carboxamide

Systemtic Name: N-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)-1,3-benzodioxole-4-carboxamide Openeye Name: N-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]-1,3-benzodioxole-4-carboxamide CAS Name: N-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)-1,3-benzodioxole-4-carboxamide IUPAC Name: N-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,3-benzodioxole-4-carboxamide Traditional Name: N-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]-1,3-benzodioxole-4-carboxamide Formula: C21H15N3O3S MolecularWeight: 389.4271

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=CC=CC(=C2O1)C(=O)NC3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

C1OC2=CC=CC(=C2O1)C(=O)NC3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C21H15N3O3S/c25-21(15-8-4-9-17-20(15)27-13-26-17)22-16-12-24(14-6-2-1-3-7-14)23-19(16)18-10-5-11-28-18/h1-12H,13H2,(H,22,25)