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

Systemtic Name: N-[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(3R)-1,1-dioxo-3-thiolanyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-[(3R)-1,1-diketothiolan-3-yl]-4-keto-phthalazine-1-carboxamide Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

C1CS(=O)(=O)C[C@@H]1NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C20H19N3O4S/c24-19(21-15-10-11-28(26,27)13-15)18-16-8-4-5-9-17(16)20(25)23(22-18)12-14-6-2-1-3-7-14/h1-9,15H,10-13H2,(H,21,24)/t15-/m1/s1