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

Systemtic Name: methyl 2-[[5-[(1S)-1-azanyl-2-phenyl-ethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: methyl 2-[[5-[(1S)-1-amino-2-phenyl-ethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 2-[[5-[(1S)-1-amino-2-phenylethyl]-4-ethyl-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 2-[[5-[(1S)-1-amino-2-phenylethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 2-[[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=C1SC(C)C(=O)OC)C(CC2=CC=CC=C2)N

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)OC)[C@H](CC2=CC=CC=C2)N

InChI

InChI=1S/C16H22N4O2S/c1-4-20-14(13(17)10-12-8-6-5-7-9-12)18-19-16(20)23-11(2)15(21)22-3/h5-9,11,13H,4,10,17H2,1-3H3/t11?,13-/m0/s1