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

Systemtic Name: ethyl 2-[[4-ethyl-5-[(4-methylphenyl)sulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[4-ethyl-5-(p-tolylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-ethyl-5-[[(4-methylphenyl)thio]methyl]-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-ethyl-5-[(4-methylphenyl)sulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-ethyl-5-[(p-tolylthio)methyl]-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C16H21N3O2S2 MolecularWeight: 351.48684

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OCC)CSC2=CC=C(C=C2)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OCC)CSC2=CC=C(C=C2)C

InChI

InChI=1S/C16H21N3O2S2/c1-4-19-14(10-22-13-8-6-12(3)7-9-13)17-18-16(19)23-11-15(20)21-5-2/h6-9H,4-5,10-11H2,1-3H3