ethyl 2-methyl-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate

Systemtic Name: ethyl 2-methyl-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: ethyl 2-methyl-2-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 2-methyl-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-methyl-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 2-methyl-2-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]propionic acid ethyl ester Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)SC1=NN=C(N1C)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C(C)(C)SC1=NN=C(N1C)C2=CC=C(C=C2)C

InChI

InChI=1S/C16H21N3O2S/c1-6-21-14(20)16(3,4)22-15-18-17-13(19(15)5)12-9-7-11(2)8-10-12/h7-10H,6H2,1-5H3