8-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]naphthalene-1-carboxylate

Systemtic Name: 8-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]naphthalene-1-carboxylate Openeye Name: 8-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]naphthalene-1-carboxylate CAS Name: 8-[[1-oxo-2-[(1-phenyl-5-tetrazolyl)thio]ethyl]amino]-1-naphthalenecarboxylate IUPAC Name: 8-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]naphthalene-1-carboxylate Traditional Name: 8-[[2-[(1-phenyltetrazol-5-yl)thio]acetyl]amino]-1-naphthoate Formula: C20H14N5O3S- MolecularWeight: 404.42186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC=CC4=C3C(=CC=C4)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC=CC4=C3C(=CC=C4)C(=O)[O-]

InChI

InChI=1S/C20H15N5O3S/c26-17(12-29-20-22-23-24-25(20)14-8-2-1-3-9-14)21-16-11-5-7-13-6-4-10-15(18(13)16)19(27)28/h1-11H,12H2,(H,21,26)(H,27,28)/p-1