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

Systemtic Name: methyl (2S)-3-phenyl-2-[2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]propanoate Openeye Name: methyl (2S)-3-phenyl-2-[[2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]propanoate CAS Name: (2S)-2-[[1-oxo-2-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-3-phenyl-2-[[2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]propanoate Traditional Name: (2S)-3-phenyl-2-[[2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]propionic acid methyl ester Formula: C25H23N5O3S MolecularWeight: 473.54682

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C25H23N5O3S/c1-33-24(32)21(15-18-9-4-2-5-10-18)27-22(31)17-34-25-29-28-23(19-11-8-14-26-16-19)30(25)20-12-6-3-7-13-20/h2-14,16,21H,15,17H2,1H3,(H,27,31)/t21-/m0/s1