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

Systemtic Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]isoindoline-1,3-quinone Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3CC3)SCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CC1C2=NN=C(N2C3CC3)SCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C17H16N4O2S/c22-15-12-3-1-2-4-13(12)16(23)20(15)9-24-17-19-18-14(10-5-6-10)21(17)11-7-8-11/h1-4,10-11H,5-9H2