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

Systemtic Name: 4-[[1-(4-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]but-2-ynyl ethanoate Openeye Name: 4-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylbut-2-ynyl acetate CAS Name: acetic acid 4-[[1-(4-methoxyphenyl)-5-tetrazolyl]thio]but-2-ynyl ester IUPAC Name: 4-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylbut-2-ynyl acetate Traditional Name: acetic acid 4-[[1-(4-methoxyphenyl)tetrazol-5-yl]thio]but-2-ynyl ester Formula: C14H14N4O3S MolecularWeight: 318.35096

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC#CCSC1=NN=NN1C2=CC=C(C=C2)OC

Isomeric SMILES

CC(=O)OCC#CCSC1=NN=NN1C2=CC=C(C=C2)OC

InChI

InChI=1S/C14H14N4O3S/c1-11(19)21-9-3-4-10-22-14-15-16-17-18(14)12-5-7-13(20-2)8-6-12/h5-8H,9-10H2,1-2H3