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

Systemtic Name: 2-[2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]ethyl]isoindoline-1,3-quinone Formula: C22H16N4O2S2 MolecularWeight: 432.51804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CS5

InChI

InChI=1S/C22H16N4O2S2/c27-20-16-9-4-5-10-17(16)21(28)25(20)12-14-30-22-24-23-19(18-11-6-13-29-18)26(22)15-7-2-1-3-8-15/h1-11,13H,12,14H2