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

Systemtic Name: 4-[[1-(2-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]but-2-ynyl 2-oxidanylidenechromene-3-carboxylate Openeye Name: 4-[1-(o-tolyl)tetrazol-5-yl]sulfanylbut-2-ynyl 2-oxochromene-3-carboxylate CAS Name: 2-oxo-1-benzopyran-3-carboxylic acid 4-[[1-(2-methylphenyl)-5-tetrazolyl]thio]but-2-ynyl ester IUPAC Name: 4-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylbut-2-ynyl 2-oxochromene-3-carboxylate Traditional Name: 2-ketochromene-3-carboxylic acid 4-[[1-(o-tolyl)tetrazol-5-yl]thio]but-2-ynyl ester Formula: C22H16N4O4S MolecularWeight: 432.45184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=N2)SCC#CCOC(=O)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=N2)SCC#CCOC(=O)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C22H16N4O4S/c1-15-8-2-4-10-18(15)26-22(23-24-25-26)31-13-7-6-12-29-20(27)17-14-16-9-3-5-11-19(16)30-21(17)28/h2-5,8-11,14H,12-13H2,1H3