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

Systemtic Name: 2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[5-(o-tolyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[5-(o-tolyl)-1,3,4-oxadiazol-2-yl]thio]methyl]isoindoline-1,3-quinone Formula: C18H13N3O3S MolecularWeight: 351.37912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(O2)SCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(O2)SCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C18H13N3O3S/c1-11-6-2-3-7-12(11)15-19-20-18(24-15)25-10-21-16(22)13-8-4-5-9-14(13)17(21)23/h2-9H,10H2,1H3