4-[[2-(2,5-dimethylphenyl)imino-1,3-thiazinan-3-yl]carbonyl]-2-methyl-phthalazin-1-one

Systemtic Name: 4-[[2-(2,5-dimethylphenyl)imino-1,3-thiazinan-3-yl]carbonyl]-2-methyl-phthalazin-1-one Openeye Name: 4-[2-(2,5-dimethylphenyl)imino-1,3-thiazinane-3-carbonyl]-2-methyl-phthalazin-1-one CAS Name: 4-[[2-(2,5-dimethylphenyl)imino-1,3-thiazinan-3-yl]-oxomethyl]-2-methyl-1-phthalazinone IUPAC Name: 4-[2-(2,5-dimethylphenyl)imino-1,3-thiazinane-3-carbonyl]-2-methylphthalazin-1-one Traditional Name: 4-[2-(2,5-dimethylphenyl)imino-1,3-thiazinane-3-carbonyl]-2-methyl-phthalazin-1-one Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N=C2N(CCCS2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N=C2N(CCCS2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C22H22N4O2S/c1-14-9-10-15(2)18(13-14)23-22-26(11-6-12-29-22)21(28)19-16-7-4-5-8-17(16)20(27)25(3)24-19/h4-5,7-10,13H,6,11-12H2,1-3H3