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

Systemtic Name: N-[2-[(4-bromanylthiophen-2-yl)methyl]pyrazol-3-yl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-[2-[(4-bromo-2-thienyl)methyl]pyrazol-3-yl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[2-[(4-bromo-2-thiophenyl)methyl]-3-pyrazolyl]-2-methyl-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-[2-[(4-bromo-2-thienyl)methyl]pyrazol-3-yl]-2-methyl-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C18H16BrN3O3S MolecularWeight: 434.30694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC2=CC=CC=C2O1)C(=O)NC3=CC=NN3CC4=CC(=CS4)Br

Isomeric SMILES

CC1C(OC2=CC=CC=C2O1)C(=O)NC3=CC=NN3CC4=CC(=CS4)Br

InChI

InChI=1S/C18H16BrN3O3S/c1-11-17(25-15-5-3-2-4-14(15)24-11)18(23)21-16-6-7-20-22(16)9-13-8-12(19)10-26-13/h2-8,10-11,17H,9H2,1H3,(H,21,23)