O-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl] imidazole-1-carbothioate

Systemtic Name: O-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl] imidazole-1-carbothioate Openeye Name: O-[2-(1,3-dioxoisoindolin-2-yl)ethyl] imidazole-1-carbothioate CAS Name: 1-imidazolecarbothioic acid O-[2-(1,3-dioxo-2-isoindolyl)ethyl] ester IUPAC Name: O-[2-(1,3-dioxoisoindol-2-yl)ethyl] imidazole-1-carbothioate Traditional Name: imidazole-1-carbothioic acid O-(2-phthalimidoethyl) ester Formula: C14H11N3O3S MolecularWeight: 301.32044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC(=S)N3C=CN=C3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC(=S)N3C=CN=C3

InChI

InChI=1S/C14H11N3O3S/c18-12-10-3-1-2-4-11(10)13(19)17(12)7-8-20-14(21)16-6-5-15-9-16/h1-6,9H,7-8H2