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

Systemtic Name: ethyl 3-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanoate Openeye Name: ethyl 3-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanoate Traditional Name: 3-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]propionic acid ethyl ester Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCSC1=NN=C(N1C2=CC=CC=C2)C3=CN=CC=C3

Isomeric SMILES

CCOC(=O)CCSC1=NN=C(N1C2=CC=CC=C2)C3=CN=CC=C3

InChI

InChI=1S/C18H18N4O2S/c1-2-24-16(23)10-12-25-18-21-20-17(14-7-6-11-19-13-14)22(18)15-8-4-3-5-9-15/h3-9,11,13H,2,10,12H2,1H3