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

Systemtic Name: 1-(4-dodecylphenyl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanone Openeye Name: 1-(4-dodecylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanyl-ethanone CAS Name: 1-(4-dodecylphenyl)-2-[(1-phenyl-5-tetrazolyl)thio]ethanone IUPAC Name: 1-(4-dodecylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone Traditional Name: 1-(4-laurylphenyl)-2-[(1-phenyltetrazol-5-yl)thio]ethanone Formula: C27H36N4OS MolecularWeight: 464.66594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)C(=O)CSC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)C(=O)CSC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C27H36N4OS/c1-2-3-4-5-6-7-8-9-10-12-15-23-18-20-24(21-19-23)26(32)22-33-27-28-29-30-31(27)25-16-13-11-14-17-25/h11,13-14,16-21H,2-10,12,15,22H2,1H3