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

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

C1=CC=C(C=C1)CCN2C(=NN=C2SCCC(=O)O)C3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SCCC(=O)O)C3=CN=CC=C3

InChI

InChI=1S/C18H18N4O2S/c23-16(24)9-12-25-18-21-20-17(15-7-4-10-19-13-15)22(18)11-8-14-5-2-1-3-6-14/h1-7,10,13H,8-9,11-12H2,(H,23,24)