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

Systemtic Name: 2-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(1-phenyl-5-tetrazolyl)thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(1-phenyltetrazol-5-yl)thio]ethyl]isoindoline-1,3-quinone Formula: C17H13N5O2S MolecularWeight: 351.38242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C17H13N5O2S/c23-15-13-8-4-5-9-14(13)16(24)21(15)10-11-25-17-18-19-20-22(17)12-6-2-1-3-7-12/h1-9H,10-11H2