N-[(E)-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(E)-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(E)-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyleneamino]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(E)-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methylideneamino]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(E)-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyleneamino]-piperonylamide Formula: C22H16N4O3S MolecularWeight: 416.45244

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NN=CC3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C22H16N4O3S/c27-22(15-8-9-18-19(11-15)29-14-28-18)24-23-12-16-13-26(17-5-2-1-3-6-17)25-21(16)20-7-4-10-30-20/h1-13H,14H2,(H,24,27)/b23-12+