2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]isoindole-1,3-dione

Systemtic Name: 2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[(1-phenyl-5-tetrazolyl)thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(1-phenyltetrazol-5-yl)thio]methyl]isoindoline-1,3-quinone Formula: C16H11N5O2S MolecularWeight: 337.35584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C16H11N5O2S/c22-14-12-8-4-5-9-13(12)15(23)20(14)10-24-16-17-18-19-21(16)11-6-2-1-3-7-11/h1-9H,10H2