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

Systemtic Name: 4-[2-[2-(3-chloranyl-4-methyl-phenyl)imino-1,3-thiazinan-3-yl]-2-oxidanylidene-ethyl]-2-methyl-phthalazin-1-one Openeye Name: 4-[2-[2-(3-chloro-4-methyl-phenyl)imino-1,3-thiazinan-3-yl]-2-oxo-ethyl]-2-methyl-phthalazin-1-one CAS Name: 4-[2-[2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-2-oxoethyl]-2-methyl-1-phthalazinone IUPAC Name: 4-[2-[2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-2-oxoethyl]-2-methylphthalazin-1-one Traditional Name: 4-[2-[2-(3-chloro-4-methyl-phenyl)imino-1,3-thiazinan-3-yl]-2-keto-ethyl]-2-methyl-phthalazin-1-one Formula: C22H21ClN4O2S MolecularWeight: 440.94574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N=C2N(CCCS2)C(=O)CC3=NN(C(=O)C4=CC=CC=C43)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N=C2N(CCCS2)C(=O)CC3=NN(C(=O)C4=CC=CC=C43)C)Cl

InChI

InChI=1S/C22H21ClN4O2S/c1-14-8-9-15(12-18(14)23)24-22-27(10-5-11-30-22)20(28)13-19-16-6-3-4-7-17(16)21(29)26(2)25-19/h3-4,6-9,12H,5,10-11,13H2,1-2H3