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

Systemtic Name: 4-[[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]carbonyl]-2-phenyl-phthalazin-1-one Openeye Name: 4-[2-(o-tolylimino)-1,3-thiazinane-3-carbonyl]-2-phenyl-phthalazin-1-one CAS Name: 4-[[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]-oxomethyl]-2-phenyl-1-phthalazinone IUPAC Name: 4-[2-(2-methylphenyl)imino-1,3-thiazinane-3-carbonyl]-2-phenylphthalazin-1-one Traditional Name: 4-[2-(o-tolylimino)-1,3-thiazinane-3-carbonyl]-2-phenyl-phthalazin-1-one Formula: C26H22N4O2S MolecularWeight: 454.54348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N=C2N(CCCS2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1N=C2N(CCCS2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C26H22N4O2S/c1-18-10-5-8-15-22(18)27-26-29(16-9-17-33-26)25(32)23-20-13-6-7-14-21(20)24(31)30(28-23)19-11-3-2-4-12-19/h2-8,10-15H,9,16-17H2,1H3