N-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-3-methyl-5-thieno[2,3-c]pyrazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-3-methylthieno[2,3-c]pyrazole-5-carboxamide Traditional Name: 1-(4-fluorophenyl)-3-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:

CC1=NN(C2=C1C=C(S2)C(=O)NCC3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)NCC3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)F

InChI

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