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

Systemtic Name: 2-[4-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)butyl]isoindole-1,3-dione Openeye Name: 2-[4-(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)butyl]isoindoline-1,3-dione CAS Name: 2-[4-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)butyl]isoindole-1,3-dione Traditional Name: 2-[4-(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)butyl]isoindoline-1,3-quinone Formula: C14H14N4O2S MolecularWeight: 302.35156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCC3=NC(=S)NN3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCC3=NC(=S)NN3

InChI

InChI=1S/C14H14N4O2S/c19-12-9-5-1-2-6-10(9)13(20)18(12)8-4-3-7-11-15-14(21)17-16-11/h1-2,5-6H,3-4,7-8H2,(H2,15,16,17,21)