ethyl 2-[[1-(4-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-2-phenyl-ethanoate

Systemtic Name: ethyl 2-[[1-(4-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-2-phenyl-ethanoate Openeye Name: ethyl 2-phenyl-2-[1-(p-tolyl)tetrazol-5-yl]sulfanyl-acetate CAS Name: 2-[[1-(4-methylphenyl)-5-tetrazolyl]thio]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl 2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetate Traditional Name: 2-phenyl-2-[[1-(p-tolyl)tetrazol-5-yl]thio]acetic acid ethyl ester Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)SC2=NN=NN2C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C(C1=CC=CC=C1)SC2=NN=NN2C3=CC=C(C=C3)C

InChI

InChI=1S/C18H18N4O2S/c1-3-24-17(23)16(14-7-5-4-6-8-14)25-18-19-20-21-22(18)15-11-9-13(2)10-12-15/h4-12,16H,3H2,1-2H3