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

Systemtic Name: ethyl 3-[[4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: ethyl 3-[[4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[[4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]propionic acid ethyl ester Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCSC1=NN=C(N1C)COC2=CC=CC=C2C

Isomeric SMILES

CCOC(=O)CCSC1=NN=C(N1C)COC2=CC=CC=C2C

InChI

InChI=1S/C16H21N3O3S/c1-4-21-15(20)9-10-23-16-18-17-14(19(16)3)11-22-13-8-6-5-7-12(13)2/h5-8H,4,9-11H2,1-3H3