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

Systemtic Name: 2-[3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[(5-amino-1H-1,2,4-triazol-3-yl)thio]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]propyl]isoindole-1,3-dione Traditional Name: 2-[3-[(5-amino-1H-1,2,4-triazol-3-yl)thio]propyl]isoindoline-1,3-quinone Formula: C13H13N5O2S MolecularWeight: 303.33962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCSC3=NNC(=N3)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCSC3=NNC(=N3)N

InChI

InChI=1S/C13H13N5O2S/c14-12-15-13(17-16-12)21-7-3-6-18-10(19)8-4-1-2-5-9(8)11(18)20/h1-2,4-5H,3,6-7H2,(H3,14,15,16,17)