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

Systemtic Name: 2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[(5-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(5-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]isoindoline-1,3-quinone Formula: C14H14N4O2S MolecularWeight: 302.35156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCC1=NC(=NN1)SCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C14H14N4O2S/c1-2-5-11-15-14(17-16-11)21-8-18-12(19)9-6-3-4-7-10(9)13(18)20/h3-4,6-7H,2,5,8H2,1H3,(H,15,16,17)