N-(1,3-benzodioxol-5-ylmethyl)-2-(6-phenylpyridazin-3-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(6-phenylpyridazin-3-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(6-phenylpyridazin-3-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-phenyl-3-pyridazinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide Traditional Name: 2-[(6-phenylpyridazin-3-yl)thio]-N-piperonyl-acetamide Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NN=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NN=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H17N3O3S/c24-19(21-11-14-6-8-17-18(10-14)26-13-25-17)12-27-20-9-7-16(22-23-20)15-4-2-1-3-5-15/h1-10H,11-13H2,(H,21,24)