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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NN=C(N1CCC2=CC=CC=C2)C3=CN=CC=C3

Isomeric SMILES

CC(C(=O)O)SC1=NN=C(N1CCC2=CC=CC=C2)C3=CN=CC=C3

InChI

InChI=1S/C18H18N4O2S/c1-13(17(23)24)25-18-21-20-16(15-8-5-10-19-12-15)22(18)11-9-14-6-3-2-4-7-14/h2-8,10,12-13H,9,11H2,1H3,(H,23,24)