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

Systemtic Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-[3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]thiophene-2-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]thiophene-2-carboxamide CAS Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-[3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-2-thiophenecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]thiophene-2-carboxamide Traditional Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]thiophene-2-carboxamide Formula: C25H22BrN3O4S MolecularWeight: 540.42888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC(=CC=C2)NC(=O)C3=CC(=CS3)COC4=CC5=C(C=C4)OCO5)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC(=CC=C2)NC(=O)C3=CC(=CS3)COC4=CC5=C(C=C4)OCO5)C)Br

InChI

InChI=1S/C25H22BrN3O4S/c1-15-24(26)16(2)29(28-15)11-17-4-3-5-19(8-17)27-25(30)23-9-18(13-34-23)12-31-20-6-7-21-22(10-20)33-14-32-21/h3-10,13H,11-12,14H2,1-2H3,(H,27,30)