2-[(4-ethyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]isoindole-1,3-dione

Systemtic Name: 2-[(4-ethyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[(4-ethyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[(4-ethyl-5-methyl-1H-imidazol-2-yl)thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(4-ethyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(4-ethyl-5-methyl-1H-imidazol-2-yl)thio]methyl]isoindoline-1,3-quinone Formula: C15H15N3O2S MolecularWeight: 301.3635

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=N1)SCN2C(=O)C3=CC=CC=C3C2=O)C

Isomeric SMILES

CCC1=C(NC(=N1)SCN2C(=O)C3=CC=CC=C3C2=O)C

InChI

InChI=1S/C15H15N3O2S/c1-3-12-9(2)16-15(17-12)21-8-18-13(19)10-6-4-5-7-11(10)14(18)20/h4-7H,3,8H2,1-2H3,(H,16,17)