2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-N-(4-bromophenyl)ethanamide

Systemtic Name: 2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-N-(4-bromophenyl)ethanamide Openeye Name: 2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-N-(4-bromophenyl)acetamide CAS Name: 2-[[6-(1,3-benzodioxol-5-yl)-3-pyridazinyl]thio]-N-(4-bromophenyl)acetamide IUPAC Name: 2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-N-(4-bromophenyl)acetamide Traditional Name: 2-[[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]thio]-N-(4-bromophenyl)acetamide Formula: C19H14BrN3O3S MolecularWeight: 444.30176

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN=C(C=C3)SCC(=O)NC4=CC=C(C=C4)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN=C(C=C3)SCC(=O)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C19H14BrN3O3S/c20-13-2-4-14(5-3-13)21-18(24)10-27-19-8-6-15(22-23-19)12-1-7-16-17(9-12)26-11-25-16/h1-9H,10-11H2,(H,21,24)