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

Systemtic Name: 2-[2-(3-sulfanyl-3H-1,2,4-triazol-5-yl)ethyl]isoindole-1,3-dione Openeye Name: 2-[2-(3-sulfanyl-3H-1,2,4-triazol-5-yl)ethyl]isoindoline-1,3-dione CAS Name: 2-[2-(3-mercapto-3H-1,2,4-triazol-5-yl)ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(3-sulfanyl-3H-1,2,4-triazol-5-yl)ethyl]isoindole-1,3-dione Traditional Name: 2-[2-(3-mercapto-3H-1,2,4-triazol-5-yl)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)CCC3=NC(N=N3)S

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC3=NC(N=N3)S

InChI

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