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

Systemtic Name: N-(4-acetamidophenyl)-2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: N-(4-acetamidophenyl)-2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-(4-acetamidophenyl)-2-[[6-(1,3-benzodioxol-5-yl)-3-pyridazinyl]thio]acetamide IUPAC Name: N-(4-acetamidophenyl)-2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanylacetamide Traditional Name: N-(4-acetamidophenyl)-2-[[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]thio]acetamide Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H18N4O4S/c1-13(26)22-15-3-5-16(6-4-15)23-20(27)11-30-21-9-7-17(24-25-21)14-2-8-18-19(10-14)29-12-28-18/h2-10H,11-12H2,1H3,(H,22,26)(H,23,27)