2-(5-dodecylsulfanyl-1,2,3,4-tetrazol-2-yl)-2-phenyl-ethanoic acid

Systemtic Name: 2-(5-dodecylsulfanyl-1,2,3,4-tetrazol-2-yl)-2-phenyl-ethanoic acid Openeye Name: 2-(5-dodecylsulfanyltetrazol-2-yl)-2-phenyl-acetic acid CAS Name: 2-[5-(dodecylthio)-2-tetrazolyl]-2-phenylacetic acid IUPAC Name: 2-(5-dodecylsulfanyltetrazol-2-yl)-2-phenylacetic acid Traditional Name: 2-[5-(laurylthio)tetrazol-2-yl]-2-phenyl-acetic acid Formula: C21H32N4O2S MolecularWeight: 404.56938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=NN(N=N1)C(C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCSC1=NN(N=N1)C(C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H32N4O2S/c1-2-3-4-5-6-7-8-9-10-14-17-28-21-22-24-25(23-21)19(20(26)27)18-15-12-11-13-16-18/h11-13,15-16,19H,2-10,14,17H2,1H3,(H,26,27)