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

Systemtic Name: ethyl 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NNC(=N1)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)CSC1=NNC(=N1)C2=CC=C(C=C2)C

InChI

InChI=1S/C13H15N3O2S/c1-3-18-11(17)8-19-13-14-12(15-16-13)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H,14,15,16)