4-oxidanylidene-3-propyl-N'-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)carbonyl-phthalazine-1-carbohydrazide

Systemtic Name: 4-oxidanylidene-3-propyl-N'-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)carbonyl-phthalazine-1-carbohydrazide Openeye Name: 4-oxo-3-propyl-N'-(3-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)phthalazine-1-carbohydrazide CAS Name: 4-oxo-N'-[oxo-[3-(1-pyrrolidinylsulfonyl)-2-thiophenyl]methyl]-3-propyl-1-phthalazinecarbohydrazide IUPAC Name: 4-oxo-3-propyl-N'-(3-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)phthalazine-1-carbohydrazide Traditional Name: 4-keto-3-propyl-N'-(3-pyrrolidinosulfonylthiophene-2-carbonyl)phthalazine-1-carbohydrazide Formula: C21H23N5O5S2 MolecularWeight: 489.56782

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=C(C=CS3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=C(C=CS3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H23N5O5S2/c1-2-10-26-21(29)15-8-4-3-7-14(15)17(24-26)19(27)22-23-20(28)18-16(9-13-32-18)33(30,31)25-11-5-6-12-25/h3-4,7-9,13H,2,5-6,10-12H2,1H3,(H,22,27)(H,23,28)