2-bromanyl-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-(4-tetradecoxyphenyl)ethanone

Systemtic Name: 2-bromanyl-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-(4-tetradecoxyphenyl)ethanone Openeye Name: 2-bromo-2-(1-phenyltetrazol-5-yl)sulfanyl-1-(4-tetradecoxyphenyl)ethanone CAS Name: 2-bromo-2-[(1-phenyl-5-tetrazolyl)thio]-1-(4-tetradecoxyphenyl)ethanone IUPAC Name: 2-bromo-2-(1-phenyltetrazol-5-yl)sulfanyl-1-(4-tetradecoxyphenyl)ethanone Traditional Name: 2-bromo-1-(4-myristyloxyphenyl)-2-[(1-phenyltetrazol-5-yl)thio]ethanone Formula: C29H39BrN4O2S MolecularWeight: 587.61456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)C(SC2=NN=NN2C3=CC=CC=C3)Br

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)C(SC2=NN=NN2C3=CC=CC=C3)Br

InChI

InChI=1S/C29H39BrN4O2S/c1-2-3-4-5-6-7-8-9-10-11-12-16-23-36-26-21-19-24(20-22-26)27(35)28(30)37-29-31-32-33-34(29)25-17-14-13-15-18-25/h13-15,17-22,28H,2-12,16,23H2,1H3