2-[3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]isoindoline-1,3-dione CAS Name: 2-[3-[(1-methyl-5-tetrazolyl)thio]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]isoindole-1,3-dione Traditional Name: 2-[3-[(1-methyltetrazol-5-yl)thio]propyl]isoindoline-1,3-quinone Formula: C13H13N5O2S MolecularWeight: 303.33962

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CN1C(=NN=N1)SCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C13H13N5O2S/c1-17-13(14-15-16-17)21-8-4-7-18-11(19)9-5-2-3-6-10(9)12(18)20/h2-3,5-6H,4,7-8H2,1H3