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

Systemtic Name: methyl 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoate Openeye Name: methyl 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoate CAS Name: 2-[(1-phenyl-1,2,4-triazol-3-yl)thio]propanoic acid methyl ester IUPAC Name: methyl 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoate Traditional Name: 2-[(1-phenyl-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=NN(C=N1)C2=CC=CC=C2

Isomeric SMILES

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

InChI

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