4-oxidanylidene-N'-[3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanoyl]-3H-phthalazine-1-carbohydrazide

Systemtic Name: 4-oxidanylidene-N'-[3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanoyl]-3H-phthalazine-1-carbohydrazide Openeye Name: 4-oxo-N'-[3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanoyl]-3H-phthalazine-1-carbohydrazide CAS Name: 4-oxo-N'-[1-oxo-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propyl]-3H-phthalazine-1-carbohydrazide IUPAC Name: 4-oxo-N'-[3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanoyl]-3H-phthalazine-1-carbohydrazide Traditional Name: 4-keto-N'-[3-(4-keto-2-thioxo-1H-quinazolin-3-yl)propanoyl]-3H-phthalazine-1-carbohydrazide Formula: C20H16N6O4S MolecularWeight: 436.44384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NNC(=O)CCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NNC(=O)CCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C20H16N6O4S/c27-15(9-10-26-19(30)13-7-3-4-8-14(13)21-20(26)31)22-25-18(29)16-11-5-1-2-6-12(11)17(28)24-23-16/h1-8H,9-10H2,(H,21,31)(H,22,27)(H,24,28)(H,25,29)