N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-methyl-pyrazol-3-yl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-methyl-pyrazol-3-yl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[2-(1,1-dioxothiolan-3-yl)-5-methyl-pyrazol-3-yl]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[2-(1,1-dioxo-3-thiolanyl)-5-methyl-3-pyrazolyl]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-N-[2-(1,1-diketothiolan-3-yl)-5-methyl-pyrazol-3-yl]-4-keto-phthalazine-1-carboxamide Formula: C22H27N5O4S MolecularWeight: 457.54588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=NN3C4CCS(=O)(=O)C4)C

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=NN3C4CCS(=O)(=O)C4)C

InChI

InChI=1S/C22H27N5O4S/c1-3-4-7-11-26-22(29)18-9-6-5-8-17(18)20(25-26)21(28)23-19-13-15(2)24-27(19)16-10-12-32(30,31)14-16/h5-6,8-9,13,16H,3-4,7,10-12,14H2,1-2H3,(H,23,28)