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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]isoindoline-1,3-quinone Formula: C11H9N5O2S MolecularWeight: 275.28646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CSC3=NNC(=N3)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CSC3=NNC(=N3)N

InChI

InChI=1S/C11H9N5O2S/c12-10-13-11(15-14-10)19-5-16-8(17)6-3-1-2-4-7(6)9(16)18/h1-4H,5H2,(H3,12,13,14,15)