4-(2,3-dihydro-1,4-benzothiazin-4-ylcarbonyl)-2-(phenylmethyl)phthalazin-1-one

Systemtic Name: 4-(2,3-dihydro-1,4-benzothiazin-4-ylcarbonyl)-2-(phenylmethyl)phthalazin-1-one Openeye Name: 2-benzyl-4-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)phthalazin-1-one CAS Name: 4-[2,3-dihydro-1,4-benzothiazin-4-yl(oxo)methyl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 2-benzyl-4-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)phthalazin-1-one Traditional Name: 2-benzyl-4-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)phthalazin-1-one Formula: C24H19N3O2S MolecularWeight: 413.49156

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2N1C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C1CSC2=CC=CC=C2N1C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C24H19N3O2S/c28-23-19-11-5-4-10-18(19)22(25-27(23)16-17-8-2-1-3-9-17)24(29)26-14-15-30-21-13-7-6-12-20(21)26/h1-13H,14-16H2