N-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-(7,8-dimethoxyphthalazin-1-yl)sulfanyl-ethanamide

Systemtic Name: N-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-(7,8-dimethoxyphthalazin-1-yl)sulfanyl-ethanamide Openeye Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(7,8-dimethoxyphthalazin-1-yl)sulfanyl-acetamide CAS Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(7,8-dimethoxy-1-phthalazinyl)thio]acetamide IUPAC Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(7,8-dimethoxyphthalazin-1-yl)sulfanylacetamide Traditional Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(7,8-dimethoxyphthalazin-1-yl)thio]acetamide Formula: C19H15ClF3N3O3S MolecularWeight: 457.85391

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(N=NC=C2C=C1)SCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl)OC

Isomeric SMILES

COC1=C(C2=C(N=NC=C2C=C1)SCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl)OC

InChI

InChI=1S/C19H15ClF3N3O3S/c1-28-14-6-3-10-8-24-26-18(16(10)17(14)29-2)30-9-15(27)25-13-7-11(19(21,22)23)4-5-12(13)20/h3-8H,9H2,1-2H3,(H,25,27)