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

Systemtic Name: ethyl 2-[[2-(phenylcarbonyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[2-benzoyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[2-benzoyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2-benzoyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[2-benzoyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C18H16N4O3S MolecularWeight: 368.40964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=NN1C(=O)C2=CC=CC=C2)C3=CN=CC=C3

Isomeric SMILES

CCOC(=O)CSC1=NC(=NN1C(=O)C2=CC=CC=C2)C3=CN=CC=C3

InChI

InChI=1S/C18H16N4O3S/c1-2-25-15(23)12-26-18-20-16(14-9-6-10-19-11-14)21-22(18)17(24)13-7-4-3-5-8-13/h3-11H,2,12H2,1H3