4-[[1-(2-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]but-2-ynyl benzoate

Systemtic Name: 4-[[1-(2-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]but-2-ynyl benzoate Openeye Name: 4-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylbut-2-ynyl benzoate CAS Name: benzoic acid 4-[[1-(2-methoxyphenyl)-5-tetrazolyl]thio]but-2-ynyl ester IUPAC Name: 4-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylbut-2-ynyl benzoate Traditional Name: benzoic acid 4-[[1-(2-methoxyphenyl)tetrazol-5-yl]thio]but-2-ynyl ester Formula: C19H16N4O3S MolecularWeight: 380.42034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NN=N2)SCC#CCOC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1N2C(=NN=N2)SCC#CCOC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H16N4O3S/c1-25-17-12-6-5-11-16(17)23-19(20-21-22-23)27-14-8-7-13-26-18(24)15-9-3-2-4-10-15/h2-6,9-12H,13-14H2,1H3