5-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: 5-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: 5-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[1-oxo-2-[(1-phenyl-5-tetrazolyl)thio]ethyl]amino]benzene-1,3-dicarboxylate IUPAC Name: 5-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[(1-phenyltetrazol-5-yl)thio]acetyl]amino]isophthalate Formula: C17H11N5O5S-2 MolecularWeight: 397.36474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC(=CC(=C3)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC(=CC(=C3)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C17H13N5O5S/c23-14(18-12-7-10(15(24)25)6-11(8-12)16(26)27)9-28-17-19-20-21-22(17)13-4-2-1-3-5-13/h1-8H,9H2,(H,18,23)(H,24,25)(H,26,27)/p-2