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

Systemtic Name: methyl 3-[[5-[(1S)-1-azanyl-2-phenyl-ethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: methyl 3-[[5-[(1S)-1-amino-2-phenyl-ethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[5-[(1S)-1-amino-2-phenylethyl]-4-ethyl-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[[5-[(1S)-1-amino-2-phenylethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[[5-[(1S)-1-amino-2-phenyl-ethyl]-4-ethyl-1,2,4-triazol-3-yl]thio]propionic acid methyl ester Formula: C16H22N4O2S MolecularWeight: 334.43648

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCC(=O)OC)C(CC2=CC=CC=C2)N

Isomeric SMILES

CCN1C(=NN=C1SCCC(=O)OC)[C@H](CC2=CC=CC=C2)N

InChI

InChI=1S/C16H22N4O2S/c1-3-20-15(13(17)11-12-7-5-4-6-8-12)18-19-16(20)23-10-9-14(21)22-2/h4-8,13H,3,9-11,17H2,1-2H3/t13-/m0/s1