2-[(3-azanylpyridin-4-yl)sulfanylmethyl]isoindole-1,3-dione

Systemtic Name: 2-[(3-azanylpyridin-4-yl)sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[(3-amino-4-pyridyl)sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[(3-amino-4-pyridinyl)thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(3-aminopyridin-4-yl)sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(3-amino-4-pyridyl)thio]methyl]isoindoline-1,3-quinone Formula: C14H11N3O2S MolecularWeight: 285.32104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CSC3=C(C=NC=C3)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CSC3=C(C=NC=C3)N

InChI

InChI=1S/C14H11N3O2S/c15-11-7-16-6-5-12(11)20-8-17-13(18)9-3-1-2-4-10(9)14(17)19/h1-7H,8,15H2