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

Systemtic Name: ethyl 2-[[4-(2,3-dimethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[4-(2,3-dimethylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(2,3-dimethylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-(2,3-dimethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(2,3-dimethylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1C2=CC=CC(=C2C)C)C3=CN=CC=C3

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1C2=CC=CC(=C2C)C)C3=CN=CC=C3

InChI

InChI=1S/C19H20N4O2S/c1-4-25-17(24)12-26-19-22-21-18(15-8-6-10-20-11-15)23(19)16-9-5-7-13(2)14(16)3/h5-11H,4,12H2,1-3H3