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

Systemtic Name: 5-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-2-methyl-isoindole-1,3-dione Openeye Name: 5-(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)-2-methyl-isoindoline-1,3-dione CAS Name: 5-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-2-methylisoindole-1,3-dione IUPAC Name: 5-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-2-methylisoindole-1,3-dione Traditional Name: 5-(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)-2-methyl-isoindoline-1,3-quinone Formula: C13H12N4O2S MolecularWeight: 288.32498

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=S)N1C2=CC3=C(C=C2)C(=O)N(C3=O)C

Isomeric SMILES

CCC1=NNC(=S)N1C2=CC3=C(C=C2)C(=O)N(C3=O)C

InChI

InChI=1S/C13H12N4O2S/c1-3-10-14-15-13(20)17(10)7-4-5-8-9(6-7)12(19)16(2)11(8)18/h4-6H,3H2,1-2H3,(H,15,20)