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

Systemtic Name: 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]methyl]isoindoline-1,3-quinone Formula: C18H14N4O2S MolecularWeight: 350.39436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C18H14N4O2S/c1-11-6-8-12(9-7-11)15-19-18(21-20-15)25-10-22-16(23)13-4-2-3-5-14(13)17(22)24/h2-9H,10H2,1H3,(H,19,20,21)