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

Systemtic Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[(5-methyl-1H-1,2,4-triazol-3-yl)thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(5-methyl-1H-1,2,4-triazol-3-yl)thio]methyl]isoindoline-1,3-quinone Formula: C12H10N4O2S MolecularWeight: 274.2984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=NC(=NN1)SCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C12H10N4O2S/c1-7-13-12(15-14-7)19-6-16-10(17)8-4-2-3-5-9(8)11(16)18/h2-5H,6H2,1H3,(H,13,14,15)