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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-benzyl-3-(2-thienyl)pyrazole-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-benzyl-3-(2-thienyl)pyrazole-4-carboxamide Formula: C22H17N3O3S MolecularWeight: 403.45368

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C22H17N3O3S/c26-22(23-16-8-9-18-19(11-16)28-14-27-18)17-13-25(12-15-5-2-1-3-6-15)24-21(17)20-7-4-10-29-20/h1-11,13H,12,14H2,(H,23,26)