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

Systemtic Name: 4-[2-[(1-naphthalen-1-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[1-(1-naphthyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoic acid CAS Name: 4-[[2-[[1-(1-naphthalenyl)-5-tetrazolyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetyl]amino]benzoic acid Traditional Name: 4-[[2-[[1-(1-naphthyl)tetrazol-5-yl]thio]acetyl]amino]benzoic acid Formula: C20H15N5O3S MolecularWeight: 405.4298

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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)