N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-[2-(methylthio)-1,3-benzothiazol-6-yl]phthalazine-1-carboxamide Formula: C24H18N4O2S2 MolecularWeight: 458.55532

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C24H18N4O2S2/c1-31-24-26-19-12-11-16(13-20(19)32-24)25-22(29)21-17-9-5-6-10-18(17)23(30)28(27-21)14-15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,25,29)