2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4,5,6,7-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4,5,6,7-tetrahydroisoindole-1,3-dione Openeye Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4,5,6,7-tetrahydroisoindole-1,3-dione CAS Name: 2-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-4,5,6,7-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4,5,6,7-tetrahydroisoindole-1,3-dione Traditional Name: 2-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-4,5,6,7-tetrahydroisoindole-1,3-quinone Formula: C12H14N4O2S MolecularWeight: 278.33016

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCN2C(=O)C3=C(C2=O)CCCC3

Isomeric SMILES

CN1C=NN=C1SCN2C(=O)C3=C(C2=O)CCCC3

InChI

InChI=1S/C12H14N4O2S/c1-15-6-13-14-12(15)19-7-16-10(17)8-4-2-3-5-9(8)11(16)18/h6H,2-5,7H2,1H3