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

Systemtic Name: 4-[[2-(3-chloranyl-4-methyl-phenyl)imino-1,3-thiazinan-3-yl]carbonyl]-2-methyl-phthalazin-1-one Openeye Name: 4-[2-(3-chloro-4-methyl-phenyl)imino-1,3-thiazinane-3-carbonyl]-2-methyl-phthalazin-1-one CAS Name: 4-[[2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-oxomethyl]-2-methyl-1-phthalazinone IUPAC Name: 4-[2-(3-chloro-4-methylphenyl)imino-1,3-thiazinane-3-carbonyl]-2-methylphthalazin-1-one Traditional Name: 4-[2-(3-chloro-4-methyl-phenyl)imino-1,3-thiazinane-3-carbonyl]-2-methyl-phthalazin-1-one Formula: C21H19ClN4O2S MolecularWeight: 426.91916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN4O2S/c1-13-8-9-14(12-17(13)22)23-21-26(10-5-11-29-21)20(28)18-15-6-3-4-7-16(15)19(27)25(2)24-18/h3-4,6-9,12H,5,10-11H2,1-2H3