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

Systemtic Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]thiophene-2-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]thiophene-2-carboxamide CAS Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-[3-[(4-bromo-1-pyrazolyl)methyl]phenyl]-2-thiophenecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]thiophene-2-carboxamide Traditional Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]thiophene-2-carboxamide Formula: C23H18BrN3O4S MolecularWeight: 512.37572

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)OCC3=CSC(=C3)C(=O)NC4=CC=CC(=C4)CN5C=C(C=N5)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)OCC3=CSC(=C3)C(=O)NC4=CC=CC(=C4)CN5C=C(C=N5)Br

InChI

InChI=1S/C23H18BrN3O4S/c24-17-9-25-27(11-17)10-15-2-1-3-18(6-15)26-23(28)22-7-16(13-32-22)12-29-19-4-5-20-21(8-19)31-14-30-20/h1-9,11,13H,10,12,14H2,(H,26,28)