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

Systemtic Name: 4-[[1-(4-bromophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]but-2-ynyl ethanoate Openeye Name: 4-[1-(4-bromophenyl)tetrazol-5-yl]sulfanylbut-2-ynyl acetate CAS Name: acetic acid 4-[[1-(4-bromophenyl)-5-tetrazolyl]thio]but-2-ynyl ester IUPAC Name: 4-[1-(4-bromophenyl)tetrazol-5-yl]sulfanylbut-2-ynyl acetate Traditional Name: acetic acid 4-[[1-(4-bromophenyl)tetrazol-5-yl]thio]but-2-ynyl ester Formula: C13H11BrN4O2S MolecularWeight: 367.22104

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC#CCSC1=NN=NN1C2=CC=C(C=C2)Br

Isomeric SMILES

CC(=O)OCC#CCSC1=NN=NN1C2=CC=C(C=C2)Br

InChI

InChI=1S/C13H11BrN4O2S/c1-10(19)20-8-2-3-9-21-13-15-16-17-18(13)12-6-4-11(14)5-7-12/h4-7H,8-9H2,1H3