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

Systemtic Name: 2-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]ethyl]isoindoline-1,3-quinone Formula: C12H11N5O2S MolecularWeight: 289.31304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCSC3=NNC(=N3)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCSC3=NNC(=N3)N

InChI

InChI=1S/C12H11N5O2S/c13-11-14-12(16-15-11)20-6-5-17-9(18)7-3-1-2-4-8(7)10(17)19/h1-4H,5-6H2,(H3,13,14,15,16)