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

Systemtic Name: methyl 3-[[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: methyl 3-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate CAS Name: 3-[[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate Traditional Name: 3-[(5-benzyl-1H-1,2,4-triazol-3-yl)thio]propionic acid methyl ester Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=NNC(=N1)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCSC1=NNC(=N1)CC2=CC=CC=C2

InChI

InChI=1S/C13H15N3O2S/c1-18-12(17)7-8-19-13-14-11(15-16-13)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,14,15,16)