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

Systemtic Name: 4-[[1-(2-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]but-2-ynyl 4-bromanylbenzoate Openeye Name: 4-[1-(o-tolyl)tetrazol-5-yl]sulfanylbut-2-ynyl 4-bromobenzoate CAS Name: 4-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 4-bromobenzoate Traditional Name: 4-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=C(C=C3)Br

Isomeric SMILES

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

InChI

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