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

Systemtic Name: ethyl 2-[[5-[(4-ethoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-[(4-ethoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(4-ethoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-[(4-ethoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(4-ethoxybenzyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC2=NN=C(N2C)SCC(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)CC2=NN=C(N2C)SCC(=O)OCC

InChI

InChI=1S/C16H21N3O3S/c1-4-21-13-8-6-12(7-9-13)10-14-17-18-16(19(14)3)23-11-15(20)22-5-2/h6-9H,4-5,10-11H2,1-3H3