4-(1,3-benzodioxol-5-yloxymethyl)-N-[4-bromanyl-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-[4-bromanyl-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide CAS Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-[4-bromo-1-[(4-fluorophenyl)methyl]-3-pyrazolyl]-2-thiophenecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide Traditional Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-[4-bromo-1-(4-fluorobenzyl)pyrazol-3-yl]thiophene-2-carboxamide Formula: C23H17BrFN3O4S MolecularWeight: 530.366183

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)OCC3=CSC(=C3)C(=O)NC4=NN(C=C4Br)CC5=CC=C(C=C5)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)OCC3=CSC(=C3)C(=O)NC4=NN(C=C4Br)CC5=CC=C(C=C5)F

InChI

InChI=1S/C23H17BrFN3O4S/c24-18-10-28(9-14-1-3-16(25)4-2-14)27-22(18)26-23(29)21-7-15(12-33-21)11-30-17-5-6-19-20(8-17)32-13-31-19/h1-8,10,12H,9,11,13H2,(H,26,27,29)