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

Systemtic Name: 4-[[1-(2-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]but-2-ynyl 2-methoxybenzoate Openeye Name: 4-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylbut-2-ynyl 2-methoxybenzoate CAS Name: 2-methoxybenzoic acid 4-[[1-(2-methoxyphenyl)-5-tetrazolyl]thio]but-2-ynyl ester IUPAC Name: 4-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylbut-2-ynyl 2-methoxybenzoate Traditional Name: 2-methoxybenzoic acid 4-[[1-(2-methoxyphenyl)tetrazol-5-yl]thio]but-2-ynyl ester Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)OCC#CCSC2=NN=NN2C3=CC=CC=C3OC

Isomeric SMILES

COC1=CC=CC=C1C(=O)OCC#CCSC2=NN=NN2C3=CC=CC=C3OC

InChI

InChI=1S/C20H18N4O4S/c1-26-17-11-5-3-9-15(17)19(25)28-13-7-8-14-29-20-21-22-23-24(20)16-10-4-6-12-18(16)27-2/h3-6,9-12H,13-14H2,1-2H3