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

Systemtic Name: 2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]methyl]isoindoline-1,3-quinone Formula: C20H18N4O2S MolecularWeight: 378.44752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCN2C(=O)C3=CC=CC=C3C2=O)CC4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCN2C(=O)C3=CC=CC=C3C2=O)CC4=CC=CC=C4

InChI

InChI=1S/C20H18N4O2S/c1-2-23-17(12-14-8-4-3-5-9-14)21-22-20(23)27-13-24-18(25)15-10-6-7-11-16(15)19(24)26/h3-11H,2,12-13H2,1H3