2-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]isoindole-1,3-dione Openeye Name: 2-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]isoindoline-1,3-dione CAS Name: 2-[2-(1H-1,2,4-triazol-5-ylthio)ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]isoindole-1,3-dione Traditional Name: 2-[2-(1H-1,2,4-triazol-5-ylthio)ethyl]isoindoline-1,3-quinone Formula: C12H10N4O2S MolecularWeight: 274.2984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCSC3=NC=NN3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCSC3=NC=NN3

InChI

InChI=1S/C12H10N4O2S/c17-10-8-3-1-2-4-9(8)11(18)16(10)5-6-19-12-13-7-14-15-12/h1-4,7H,5-6H2,(H,13,14,15)