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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[6-(3,4-dimethylphenyl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[6-(3,4-dimethylphenyl)pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[6-(3,4-dimethylphenyl)-3-pyridazinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[6-(3,4-dimethylphenyl)pyridazin-3-yl]sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[6-(3,4-dimethylphenyl)pyridazin-3-yl]thio]acetamide Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(C=C2)SCC(=O)NC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C=C2)SCC(=O)NC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C21H19N3O3S/c1-13-3-4-15(9-14(13)2)17-6-8-21(24-23-17)28-11-20(25)22-16-5-7-18-19(10-16)27-12-26-18/h3-10H,11-12H2,1-2H3,(H,22,25)