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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=N2)SCC#CCOC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=N2)SCC#CCOC(=O)C

InChI

InChI=1S/C14H14N4O2S/c1-11-5-7-13(8-6-11)18-14(15-16-17-18)21-10-4-3-9-20-12(2)19/h5-8H,9-10H2,1-2H3