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

Systemtic Name: N-[3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-(3-methyl-1,1-dioxo-thiolan-3-yl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-(3-methyl-1,1-dioxo-3-thiolanyl)-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-(1,1-diketo-3-methyl-thiolan-3-yl)-4-keto-phthalazine-1-carboxamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCS(=O)(=O)C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CC1(CCS(=O)(=O)C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C21H21N3O4S/c1-21(11-12-29(27,28)14-21)22-19(25)18-16-9-5-6-10-17(16)20(26)24(23-18)13-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,22,25)