N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-butyl-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-butyl-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-butyl-N-(1,1-dioxothiolan-3-yl)-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-butyl-N-(1,1-dioxo-3-thiolanyl)-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-butyl-N-(1,1-dioxothiolan-3-yl)-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: N-butyl-N-(1,1-diketothiolan-3-yl)-4-keto-3-phenyl-phthalazine-1-carboxamide Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1CCS(=O)(=O)C1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CCCCN(C1CCS(=O)(=O)C1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3O4S/c1-2-3-14-25(18-13-15-31(29,30)16-18)23(28)21-19-11-7-8-12-20(19)22(27)26(24-21)17-9-5-4-6-10-17/h4-12,18H,2-3,13-16H2,1H3