N-(1,3-benzodioxol-5-ylmethyl)-3-(2-fluorophenyl)-1-methyl-thieno[2,3-c]pyrazole-5-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(2-fluorophenyl)-1-methyl-thieno[2,3-c]pyrazole-5-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(2-fluorophenyl)-1-methyl-thieno[2,3-c]pyrazole-5-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(2-fluorophenyl)-1-methyl-5-thieno[2,3-c]pyrazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(2-fluorophenyl)-1-methylthieno[2,3-c]pyrazole-5-carboxamide Traditional Name: 3-(2-fluorophenyl)-1-methyl-N-piperonyl-thieno[2,3-c]pyrazole-5-carboxamide Formula: C21H16FN3O3S MolecularWeight: 409.433443

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(S2)C(=O)NCC3=CC4=C(C=C3)OCO4)C(=N1)C5=CC=CC=C5F

Isomeric SMILES

CN1C2=C(C=C(S2)C(=O)NCC3=CC4=C(C=C3)OCO4)C(=N1)C5=CC=CC=C5F

InChI

InChI=1S/C21H16FN3O3S/c1-25-21-14(19(24-25)13-4-2-3-5-15(13)22)9-18(29-21)20(26)23-10-12-6-7-16-17(8-12)28-11-27-16/h2-9H,10-11H2,1H3,(H,23,26)