4-oxidanylidene-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]-3H-phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]-3H-phthalazine-1-carboxamide Openeye Name: 4-oxo-N-[(5-pyrrolidin-1-ylsulfonyl-2-thienyl)methyl]-3H-phthalazine-1-carboxamide CAS Name: 4-oxo-N-[[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]methyl]-3H-phthalazine-1-carboxamide IUPAC Name: 4-oxo-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-[(5-pyrrolidinosulfonyl-2-thienyl)methyl]-3H-phthalazine-1-carboxamide Formula: C18H18N4O4S2 MolecularWeight: 418.48992

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(S2)CNC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(S2)CNC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C18H18N4O4S2/c23-17-14-6-2-1-5-13(14)16(20-21-17)18(24)19-11-12-7-8-15(27-12)28(25,26)22-9-3-4-10-22/h1-2,5-8H,3-4,9-11H2,(H,19,24)(H,21,23)