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

Systemtic Name: 2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(4-isopropyl-1,2,4-triazol-3-yl)thio]methyl]isoindoline-1,3-quinone Formula: C14H14N4O2S MolecularWeight: 302.35156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN=C1SCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)N1C=NN=C1SCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C14H14N4O2S/c1-9(2)17-7-15-16-14(17)21-8-18-12(19)10-5-3-4-6-11(10)13(18)20/h3-7,9H,8H2,1-2H3