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

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

CN1C(=NN=C1SCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4

InChI

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