4-[[2-(3-chloranyl-4-methyl-phenyl)imino-1,3-thiazinan-3-yl]carbonyl]-2-ethyl-phthalazin-1-one

Systemtic Name: 4-[[2-(3-chloranyl-4-methyl-phenyl)imino-1,3-thiazinan-3-yl]carbonyl]-2-ethyl-phthalazin-1-one Openeye Name: 4-[2-(3-chloro-4-methyl-phenyl)imino-1,3-thiazinane-3-carbonyl]-2-ethyl-phthalazin-1-one CAS Name: 4-[[2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-oxomethyl]-2-ethyl-1-phthalazinone IUPAC Name: 4-[2-(3-chloro-4-methylphenyl)imino-1,3-thiazinane-3-carbonyl]-2-ethylphthalazin-1-one Traditional Name: 4-[2-(3-chloro-4-methyl-phenyl)imino-1,3-thiazinane-3-carbonyl]-2-ethyl-phthalazin-1-one Formula: C22H21ClN4O2S MolecularWeight: 440.94574

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCCSC3=NC4=CC(=C(C=C4)C)Cl

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCCSC3=NC4=CC(=C(C=C4)C)Cl

InChI

InChI=1S/C22H21ClN4O2S/c1-3-27-20(28)17-8-5-4-7-16(17)19(25-27)21(29)26-11-6-12-30-22(26)24-15-10-9-14(2)18(23)13-15/h4-5,7-10,13H,3,6,11-12H2,1-2H3