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

Systemtic Name: 4-[[1-(4-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]but-2-ynyl 4-bromanylbenzoate Openeye Name: 4-[1-(p-tolyl)tetrazol-5-yl]sulfanylbut-2-ynyl 4-bromobenzoate CAS Name: 4-bromobenzoic 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-bromobenzoate Traditional Name: 4-bromobenzoic acid 4-[[1-(p-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=C(C=C1)N2C(=NN=N2)SCC#CCOC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C19H15BrN4O2S/c1-14-4-10-17(11-5-14)24-19(21-22-23-24)27-13-3-2-12-26-18(25)15-6-8-16(20)9-7-15/h4-11H,12-13H2,1H3