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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)OC)C3=CN=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)OC)C3=CN=CC=C3

InChI

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