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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[[6-(2,4,5-trimethylphenyl)-3-pyridazinyl]thio]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylacetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]thio]acetamide Formula: C22H20N4OS2 MolecularWeight: 420.5504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=NN=C(C=C2)SCC(=O)NC3=NC4=CC=CC=C4S3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C2=NN=C(C=C2)SCC(=O)NC3=NC4=CC=CC=C4S3)C)C

InChI

InChI=1S/C22H20N4OS2/c1-13-10-15(3)16(11-14(13)2)17-8-9-21(26-25-17)28-12-20(27)24-22-23-18-6-4-5-7-19(18)29-22/h4-11H,12H2,1-3H3,(H,23,24,27)