methyl 2-(2-dodecylphenyl)-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoate

Systemtic Name: methyl 2-(2-dodecylphenyl)-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoate Openeye Name: methyl 2-(2-dodecylphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-acetate CAS Name: 2-(2-dodecylphenyl)-2-[(1-methyl-5-tetrazolyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(2-dodecylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetate Traditional Name: 2-(2-laurylphenyl)-2-[(1-methyltetrazol-5-yl)thio]acetic acid methyl ester Formula: C23H36N4O2S MolecularWeight: 432.62254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1C(C(=O)OC)SC2=NN=NN2C

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1C(C(=O)OC)SC2=NN=NN2C

InChI

InChI=1S/C23H36N4O2S/c1-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18-20(19)21(22(28)29-3)30-23-24-25-26-27(23)2/h14-15,17-18,21H,4-13,16H2,1-3H3