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

Systemtic Name: 4-[[1-(4-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]but-2-ynyl benzoate Openeye Name: 4-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylbut-2-ynyl benzoate CAS Name: benzoic acid 4-[[1-(4-methoxyphenyl)-5-tetrazolyl]thio]but-2-ynyl ester IUPAC Name: 4-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylbut-2-ynyl benzoate Traditional Name: benzoic acid 4-[[1-(4-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=C(C=C1)N2C(=NN=N2)SCC#CCOC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=N2)SCC#CCOC(=O)C3=CC=CC=C3

InChI

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