N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-(6-methoxy-1,3-benzothiazol-2-yl)-3H-phthalazine-1-carboxamide Formula: C17H12N4O3S MolecularWeight: 352.36718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C17H12N4O3S/c1-24-9-6-7-12-13(8-9)25-17(18-12)19-16(23)14-10-4-2-3-5-11(10)15(22)21-20-14/h2-8H,1H3,(H,21,22)(H,18,19,23)