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

Systemtic Name: 4-[[1-(2-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]but-2-ynyl 2-bromanylbenzoate Openeye Name: 4-[1-(o-tolyl)tetrazol-5-yl]sulfanylbut-2-ynyl 2-bromobenzoate CAS Name: 2-bromobenzoic acid 4-[[1-(2-methylphenyl)-5-tetrazolyl]thio]but-2-ynyl ester IUPAC Name: 4-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylbut-2-ynyl 2-bromobenzoate Traditional Name: 2-bromobenzoic acid 4-[[1-(o-tolyl)tetrazol-5-yl]thio]but-2-ynyl ester Formula: C19H15BrN4O2S MolecularWeight: 443.317

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=N2)SCC#CCOC(=O)C3=CC=CC=C3Br

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=N2)SCC#CCOC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C19H15BrN4O2S/c1-14-8-2-5-11-17(14)24-19(21-22-23-24)27-13-7-6-12-26-18(25)15-9-3-4-10-16(15)20/h2-5,8-11H,12-13H2,1H3