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

Systemtic Name: 3-ethyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-ethyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-oxo-phthalazine-1-carboxamide CAS Name: 3-ethyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-ethyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-ethyl-4-keto-N-[2-(methylthio)-1,3-benzothiazol-6-yl]phthalazine-1-carboxamide Formula: C19H16N4O2S2 MolecularWeight: 396.48594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3)N=C(S4)SC

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3)N=C(S4)SC

InChI

InChI=1S/C19H16N4O2S2/c1-3-23-18(25)13-7-5-4-6-12(13)16(22-23)17(24)20-11-8-9-14-15(10-11)27-19(21-14)26-2/h4-10H,3H2,1-2H3,(H,20,24)