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

Systemtic Name: 4-[[1-(4-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]but-2-ynyl furan-2-carboxylate Openeye Name: 4-[1-(p-tolyl)tetrazol-5-yl]sulfanylbut-2-ynyl furan-2-carboxylate CAS Name: 2-furancarboxylic acid 4-[[1-(4-methylphenyl)-5-tetrazolyl]thio]but-2-ynyl ester IUPAC Name: 4-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylbut-2-ynyl furan-2-carboxylate Traditional Name: furan-2-carboxylic acid 4-[[1-(p-tolyl)tetrazol-5-yl]thio]but-2-ynyl ester Formula: C17H14N4O3S MolecularWeight: 354.38306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=N2)SCC#CCOC(=O)C3=CC=CO3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=N2)SCC#CCOC(=O)C3=CC=CO3

InChI

InChI=1S/C17H14N4O3S/c1-13-6-8-14(9-7-13)21-17(18-19-20-21)25-12-3-2-10-24-16(22)15-5-4-11-23-15/h4-9,11H,10,12H2,1H3