N-[2-[(4-bromanylthiophen-2-yl)methyl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[(4-bromanylthiophen-2-yl)methyl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[(4-bromo-2-thienyl)methyl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[(4-bromo-2-thiophenyl)methyl]-3-pyrazolyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[(4-bromo-2-thienyl)methyl]pyrazol-3-yl]-piperonylamide Formula: C16H12BrN3O3S MolecularWeight: 406.25378

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC=NN3CC4=CC(=CS4)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC=NN3CC4=CC(=CS4)Br

InChI

InChI=1S/C16H12BrN3O3S/c17-11-6-12(24-8-11)7-20-15(3-4-18-20)19-16(21)10-1-2-13-14(5-10)23-9-22-13/h1-6,8H,7,9H2,(H,19,21)