[3-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-oxidanylidene-azetidin-2-yl]methyl thiocyanate

Systemtic Name: [3-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-oxidanylidene-azetidin-2-yl]methyl thiocyanate Openeye Name: [3-(1,3-dioxoisoindolin-2-yl)-4-oxo-azetidin-2-yl]methyl thiocyanate CAS Name: thiocyanic acid [3-(1,3-dioxo-2-isoindolyl)-4-oxo-2-azetidinyl]methyl ester IUPAC Name: [3-(1,3-dioxoisoindol-2-yl)-4-oxoazetidin-2-yl]methyl thiocyanate Traditional Name: thiocyanic acid (4-keto-3-phthalimido-azetidin-2-yl)methyl ester Formula: C13H9N3O3S MolecularWeight: 287.29386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)C3C(NC3=O)CSC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C3C(NC3=O)CSC#N

InChI

InChI=1S/C13H9N3O3S/c14-6-20-5-9-10(11(17)15-9)16-12(18)7-3-1-2-4-8(7)13(16)19/h1-4,9-10H,5H2,(H,15,17)