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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-[2-[(4-bromanylthiophen-2-yl)methyl]pyrazol-3-yl]propanamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-[2-[(4-bromo-2-thienyl)methyl]pyrazol-3-yl]propanamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[2-[(4-bromo-2-thiophenyl)methyl]-3-pyrazolyl]propanamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]propanamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-[2-[(4-bromo-2-thienyl)methyl]pyrazol-3-yl]propionamide Formula: C18H16BrN3O3S MolecularWeight: 434.30694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrN3O3S/c19-13-8-14(26-10-13)9-22-17(5-6-20-22)21-18(23)4-2-12-1-3-15-16(7-12)25-11-24-15/h1,3,5-8,10H,2,4,9,11H2,(H,21,23)