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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=N2)SCC#CCOC(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=N2)SCC#CCOC(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C20H18N4O3S/c1-15-8-3-4-11-18(15)24-20(21-22-23-24)28-13-6-5-12-27-19(25)16-9-7-10-17(14-16)26-2/h3-4,7-11,14H,12-13H2,1-2H3