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

Systemtic Name: ethyl 2-[(4-phenethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[[4-phenethyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-phenethyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(4-phenethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-phenethyl-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(N1CCC2=CC=CC=C2)C3=CN=CC=C3

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1CCC2=CC=CC=C2)C3=CN=CC=C3

InChI

InChI=1S/C19H20N4O2S/c1-2-25-17(24)14-26-19-22-21-18(16-9-6-11-20-13-16)23(19)12-10-15-7-4-3-5-8-15/h3-9,11,13H,2,10,12,14H2,1H3