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

Systemtic Name: 2-[3-[(3-azanyl-1H-1,2,4-triazol-5-yl)sulfonyl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[(3-amino-1H-1,2,4-triazol-5-yl)sulfonyl]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[(3-amino-1H-1,2,4-triazol-5-yl)sulfonyl]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[(3-amino-1H-1,2,4-triazol-5-yl)sulfonyl]propyl]isoindole-1,3-dione Traditional Name: 2-[3-[(3-amino-1H-1,2,4-triazol-5-yl)sulfonyl]propyl]isoindoline-1,3-quinone Formula: C13H13N5O4S MolecularWeight: 335.33842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCS(=O)(=O)C3=NC(=NN3)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCS(=O)(=O)C3=NC(=NN3)N

InChI

InChI=1S/C13H13N5O4S/c14-12-15-13(17-16-12)23(21,22)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)