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

Systemtic Name: 4-[[1-(4-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]but-2-ynyl furan-2-carboxylate Openeye Name: 4-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylbut-2-ynyl furan-2-carboxylate CAS Name: 2-furancarboxylic acid 4-[[1-(4-methoxyphenyl)-5-tetrazolyl]thio]but-2-ynyl ester IUPAC Name: 4-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylbut-2-ynyl furan-2-carboxylate Traditional Name: furan-2-carboxylic acid 4-[[1-(4-methoxyphenyl)tetrazol-5-yl]thio]but-2-ynyl ester Formula: C17H14N4O4S MolecularWeight: 370.38246

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=N2)SCC#CCOC(=O)C3=CC=CO3

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=N2)SCC#CCOC(=O)C3=CC=CO3

InChI

InChI=1S/C17H14N4O4S/c1-23-14-8-6-13(7-9-14)21-17(18-19-20-21)26-12-3-2-10-25-16(22)15-5-4-11-24-15/h4-9,11H,10,12H2,1H3