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

Systemtic Name: 3-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: 3-[[4-(4-ethoxyphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[4-(4-ethoxyphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propanoate IUPAC Name: 3-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[[4-p-phenetyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]propionate Formula: C18H17N4O3S- MolecularWeight: 369.41758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)[O-])C3=CN=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)[O-])C3=CN=CC=C3

InChI

InChI=1S/C18H18N4O3S/c1-2-25-15-7-5-14(6-8-15)22-17(13-4-3-10-19-12-13)20-21-18(22)26-11-9-16(23)24/h3-8,10,12H,2,9,11H2,1H3,(H,23,24)/p-1