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

Systemtic Name: ethyl 2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)C)C3=CC=CC=C3

InChI

InChI=1S/C19H19N3O2S/c1-3-24-17(23)13-25-19-21-20-18(15-7-5-4-6-8-15)22(19)16-11-9-14(2)10-12-16/h4-12H,3,13H2,1-2H3