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

Systemtic Name: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]isoindoline-1,3-quinone Formula: C18H14N4O2S MolecularWeight: 350.39436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C18H14N4O2S/c1-12-19-20-18(22(12)13-7-3-2-4-8-13)25-11-21-16(23)14-9-5-6-10-15(14)17(21)24/h2-10H,11H2,1H3