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

Systemtic Name: methyl (2S)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanoate Openeye Name: methyl (2S)-2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: (2S)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanoate Traditional Name: (2S)-2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propionic acid methyl ester Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=NN=C(N1C2=CC=CC=C2)C3=CC=NC=C3

Isomeric SMILES

C[C@@H](C(=O)OC)SC1=NN=C(N1C2=CC=CC=C2)C3=CC=NC=C3

InChI

InChI=1S/C17H16N4O2S/c1-12(16(22)23-2)24-17-20-19-15(13-8-10-18-11-9-13)21(17)14-6-4-3-5-7-14/h3-12H,1-2H3/t12-/m0/s1