2-[(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)methyl]isoindole-1,3-dione

Systemtic Name: 2-[(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)methyl]isoindole-1,3-dione Openeye Name: 2-[(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)methyl]isoindoline-1,3-dione CAS Name: 2-[(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)methyl]isoindole-1,3-dione IUPAC Name: 2-[(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)methyl]isoindole-1,3-dione Traditional Name: 2-[(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)methyl]isoindoline-1,3-quinone Formula: C11H8N4O2S MolecularWeight: 260.27182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=NC(=S)NN3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=NC(=S)NN3

InChI

InChI=1S/C11H8N4O2S/c16-9-6-3-1-2-4-7(6)10(17)15(9)5-8-12-11(18)14-13-8/h1-4H,5H2,(H2,12,13,14,18)