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

Systemtic Name: ethyl 2-[[4-(4-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[4-(p-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(4-methylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-(4-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(p-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O2S/c1-3-24-16(23)12-25-18-21-20-17(14-5-4-10-19-11-14)22(18)15-8-6-13(2)7-9-15/h4-11H,3,12H2,1-2H3