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

Systemtic Name: ethyl 2-methyl-2-[[5-[(4-methylphenoxy)methyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: ethyl 2-[[4-benzyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-propanoate CAS Name: 2-methyl-2-[[5-[(4-methylphenoxy)methyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-benzyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-2-methylpropanoate Traditional Name: 2-[[4-benzyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-2-methyl-propionic acid ethyl ester Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)SC1=NN=C(N1CC2=CC=CC=C2)COC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C(C)(C)SC1=NN=C(N1CC2=CC=CC=C2)COC3=CC=C(C=C3)C

InChI

InChI=1S/C23H27N3O3S/c1-5-28-21(27)23(3,4)30-22-25-24-20(16-29-19-13-11-17(2)12-14-19)26(22)15-18-9-7-6-8-10-18/h6-14H,5,15-16H2,1-4H3