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

Systemtic Name: methyl (2R)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate Openeye Name: methyl (2R)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate CAS Name: (2R)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate Traditional Name: (2R)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]propionic acid methyl ester Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=NNC(=N1)C2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)OC)SC1=NNC(=N1)C2=CC=CC=C2

InChI

InChI=1S/C12H13N3O2S/c1-8(11(16)17-2)18-12-13-10(14-15-12)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,13,14,15)/t8-/m1/s1