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

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

COC(=O)CCSC1=NN=CN1C2=CC=CC=C2

Isomeric SMILES

COC(=O)CCSC1=NN=CN1C2=CC=CC=C2

InChI

InChI=1S/C12H13N3O2S/c1-17-11(16)7-8-18-12-14-13-9-15(12)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3