4-[2-[(1-naphthalen-1-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: 4-[2-[(1-naphthalen-1-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: 4-[[2-[1-(1-naphthyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[1-(1-naphthalenyl)-5-tetrazolyl]thio]-1-oxoethyl]amino]benzoate IUPAC Name: 4-[[2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[1-(1-naphthyl)tetrazol-5-yl]thio]acetyl]amino]benzoate Formula: C20H14N5O3S- MolecularWeight: 404.42186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2N3C(=NN=N3)SCC(=O)NC4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2N3C(=NN=N3)SCC(=O)NC4=CC=C(C=C4)C(=O)[O-]

InChI

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