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

Systemtic Name: 2-[2-[(1-naphthalen-1-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[1-(1-naphthyl)tetrazol-5-yl]sulfanylethyl]isoindoline-1,3-dione CAS Name: 2-[2-[[1-(1-naphthalenyl)-5-tetrazolyl]thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylethyl]isoindole-1,3-dione Traditional Name: 2-[2-[[1-(1-naphthyl)tetrazol-5-yl]thio]ethyl]isoindoline-1,3-quinone Formula: C21H15N5O2S MolecularWeight: 401.4411

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2N3C(=NN=N3)SCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2N3C(=NN=N3)SCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C21H15N5O2S/c27-19-16-9-3-4-10-17(16)20(28)25(19)12-13-29-21-22-23-24-26(21)18-11-5-7-14-6-1-2-8-15(14)18/h1-11H,12-13H2