3-ethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-ethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-ethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxo-phthalazine-1-carboxamide CAS Name: 3-ethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-ethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-ethyl-4-keto-N-(6-mesyl-1,3-benzothiazol-2-yl)phthalazine-1-carboxamide Formula: C19H16N4O4S2 MolecularWeight: 428.48474

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C19H16N4O4S2/c1-3-23-18(25)13-7-5-4-6-12(13)16(22-23)17(24)21-19-20-14-9-8-11(29(2,26)27)10-15(14)28-19/h4-10H,3H2,1-2H3,(H,20,21,24)