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

Systemtic Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-[2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)ethyl]thiophene-2-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)ethyl]thiophene-2-carboxamide CAS Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-[2-(4-bromo-3,5-dimethyl-1-pyrazolyl)ethyl]-2-thiophenecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]thiophene-2-carboxamide Traditional Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)ethyl]thiophene-2-carboxamide Formula: C20H20BrN3O4S MolecularWeight: 478.3595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCNC(=O)C2=CC(=CS2)COC3=CC4=C(C=C3)OCO4)C)Br

Isomeric SMILES

CC1=C(C(=NN1CCNC(=O)C2=CC(=CS2)COC3=CC4=C(C=C3)OCO4)C)Br

InChI

InChI=1S/C20H20BrN3O4S/c1-12-19(21)13(2)24(23-12)6-5-22-20(25)18-7-14(10-29-18)9-26-15-3-4-16-17(8-15)28-11-27-16/h3-4,7-8,10H,5-6,9,11H2,1-2H3,(H,22,25)