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

Systemtic Name: 3-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanoate Openeye Name: 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]propanoate IUPAC Name: 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]propionate Formula: C16H13N4O2S- MolecularWeight: 325.36502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O2S/c21-14(22)8-10-23-16-19-18-15(12-5-4-9-17-11-12)20(16)13-6-2-1-3-7-13/h1-7,9,11H,8,10H2,(H,21,22)/p-1