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

Systemtic Name: 4-[(1-naphthalen-1-yl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]benzoate Openeye Name: 4-[[1-(1-naphthyl)tetrazol-5-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[1-(1-naphthalenyl)-5-tetrazolyl]thio]methyl]benzoate IUPAC Name: 4-[(1-naphthalen-1-yltetrazol-5-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[[1-(1-naphthyl)tetrazol-5-yl]thio]methyl]benzoate Formula: C19H13N4O2S- MolecularWeight: 361.39712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2N3C(=NN=N3)SCC4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2N3C(=NN=N3)SCC4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C19H14N4O2S/c24-18(25)15-10-8-13(9-11-15)12-26-19-20-21-22-23(19)17-7-3-5-14-4-1-2-6-16(14)17/h1-11H,12H2,(H,24,25)/p-1