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

Systemtic Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]methyl]isoindoline-1,3-quinone Formula: C20H16N4O2S MolecularWeight: 376.43164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2C3=CC=CC=C3)SCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CC1C2=NC(=NN2C3=CC=CC=C3)SCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C20H16N4O2S/c25-18-15-8-4-5-9-16(15)19(26)23(18)12-27-20-21-17(13-10-11-13)24(22-20)14-6-2-1-3-7-14/h1-9,13H,10-12H2