N-(1,3-benzothiazol-2-yl)-2-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[[6-(2,4-dimethoxyphenyl)-3-pyridazinyl]thio]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]thio]acetamide Formula: C21H18N4O3S2 MolecularWeight: 438.52262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NN=C(C=C2)SCC(=O)NC3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NN=C(C=C2)SCC(=O)NC3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C21H18N4O3S2/c1-27-13-7-8-14(17(11-13)28-2)15-9-10-20(25-24-15)29-12-19(26)23-21-22-16-5-3-4-6-18(16)30-21/h3-11H,12H2,1-2H3,(H,22,23,26)