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

Systemtic Name: 2-[2-[(4-azanyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(4-amino-1,2,4-triazol-3-yl)thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(4-amino-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=NN=CN3N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCSC3=NN=CN3N

InChI

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