methyl 4-[[5-[(1S)-1-azanyl-2-phenyl-ethyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[5-[(1S)-1-azanyl-2-phenyl-ethyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-[(1S)-1-amino-2-phenyl-ethyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-[(1S)-1-amino-2-phenylethyl]-4-phenethyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-[(1S)-1-amino-2-phenylethyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-[(1S)-1-amino-2-phenyl-ethyl]-4-phenethyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester Formula: C27H28N4O2S MolecularWeight: 472.60182

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2CCC3=CC=CC=C3)C(CC4=CC=CC=C4)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2CCC3=CC=CC=C3)[C@H](CC4=CC=CC=C4)N

InChI

InChI=1S/C27H28N4O2S/c1-33-26(32)23-14-12-22(13-15-23)19-34-27-30-29-25(24(28)18-21-10-6-3-7-11-21)31(27)17-16-20-8-4-2-5-9-20/h2-15,24H,16-19,28H2,1H3/t24-/m0/s1