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

Systemtic Name: 4-[[1-(4-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]but-2-ynyl 4-methoxybenzoate Openeye Name: 4-[1-(p-tolyl)tetrazol-5-yl]sulfanylbut-2-ynyl 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid 4-[[1-(4-methylphenyl)-5-tetrazolyl]thio]but-2-ynyl ester IUPAC Name: 4-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylbut-2-ynyl 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid 4-[[1-(p-tolyl)tetrazol-5-yl]thio]but-2-ynyl ester Formula: C20H18N4O3S MolecularWeight: 394.44692

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=C(C=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O3S/c1-15-5-9-17(10-6-15)24-20(21-22-23-24)28-14-4-3-13-27-19(25)16-7-11-18(26-2)12-8-16/h5-12H,13-14H2,1-2H3