N'-[4-(1,3-dithian-2-yl)phenyl]carbonyl-3-ethyl-4-oxidanylidene-phthalazine-1-carbohydrazide

Systemtic Name: N'-[4-(1,3-dithian-2-yl)phenyl]carbonyl-3-ethyl-4-oxidanylidene-phthalazine-1-carbohydrazide Openeye Name: N'-[4-(1,3-dithian-2-yl)benzoyl]-3-ethyl-4-oxo-phthalazine-1-carbohydrazide CAS Name: N'-[[4-(1,3-dithian-2-yl)phenyl]-oxomethyl]-3-ethyl-4-oxo-1-phthalazinecarbohydrazide IUPAC Name: N'-[4-(1,3-dithian-2-yl)benzoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide Traditional Name: N'-[4-(1,3-dithian-2-yl)benzoyl]-3-ethyl-4-keto-phthalazine-1-carbohydrazide Formula: C22H22N4O3S2 MolecularWeight: 454.56508

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=CC=C(C=C3)C4SCCCS4

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=CC=C(C=C3)C4SCCCS4

InChI

InChI=1S/C22H22N4O3S2/c1-2-26-21(29)17-7-4-3-6-16(17)18(25-26)20(28)24-23-19(27)14-8-10-15(11-9-14)22-30-12-5-13-31-22/h3-4,6-11,22H,2,5,12-13H2,1H3,(H,23,27)(H,24,28)