1,1-bis(oxidanylidene)-2-[2-(4-phenylphthalazin-1-yl)sulfanylethyl]-1,2-benzothiazol-3-one

Systemtic Name: 1,1-bis(oxidanylidene)-2-[2-(4-phenylphthalazin-1-yl)sulfanylethyl]-1,2-benzothiazol-3-one Openeye Name: 1,1-dioxo-2-[2-(4-phenylphthalazin-1-yl)sulfanylethyl]-1,2-benzothiazol-3-one CAS Name: 1,1-dioxo-2-[2-[(4-phenyl-1-phthalazinyl)thio]ethyl]-1,2-benzothiazol-3-one IUPAC Name: 1,1-dioxo-2-[2-(4-phenylphthalazin-1-yl)sulfanylethyl]-1,2-benzothiazol-3-one Traditional Name: 1,1-diketo-2-[2-[(4-phenylphthalazin-1-yl)thio]ethyl]-1,2-benzothiazol-3-one Formula: C23H17N3O3S2 MolecularWeight: 447.52938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SCCN4C(=O)C5=CC=CC=C5S4(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SCCN4C(=O)C5=CC=CC=C5S4(=O)=O

InChI

InChI=1S/C23H17N3O3S2/c27-23-19-12-6-7-13-20(19)31(28,29)26(23)14-15-30-22-18-11-5-4-10-17(18)21(24-25-22)16-8-2-1-3-9-16/h1-13H,14-15H2