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

Systemtic Name: 4-[[1-(2-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]but-2-ynyl ethanoate Openeye Name: 4-[1-(o-tolyl)tetrazol-5-yl]sulfanylbut-2-ynyl acetate CAS Name: acetic acid 4-[[1-(2-methylphenyl)-5-tetrazolyl]thio]but-2-ynyl ester IUPAC Name: 4-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylbut-2-ynyl acetate Traditional Name: acetic acid 4-[[1-(o-tolyl)tetrazol-5-yl]thio]but-2-ynyl ester Formula: C14H14N4O2S MolecularWeight: 302.35156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=N2)SCC#CCOC(=O)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=N2)SCC#CCOC(=O)C

InChI

InChI=1S/C14H14N4O2S/c1-11-7-3-4-8-13(11)18-14(15-16-17-18)21-10-6-5-9-20-12(2)19/h3-4,7-8H,9-10H2,1-2H3