5-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)isoindole-1,3-dione

Systemtic Name: 5-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)isoindole-1,3-dione Openeye Name: 5-(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)isoindoline-1,3-dione CAS Name: 5-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)isoindole-1,3-dione IUPAC Name: 5-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)isoindole-1,3-dione Traditional Name: 5-(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)isoindoline-1,3-quinone Formula: C12H10N4O2S MolecularWeight: 274.2984

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=S)N1C2=CC3=C(C=C2)C(=O)NC3=O

Isomeric SMILES

CCC1=NNC(=S)N1C2=CC3=C(C=C2)C(=O)NC3=O

InChI

InChI=1S/C12H10N4O2S/c1-2-9-14-15-12(19)16(9)6-3-4-7-8(5-6)11(18)13-10(7)17/h3-5H,2H2,1H3,(H,15,19)(H,13,17,18)