(2S)-2-oxidanyl-3-[[5-phenyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate

Systemtic Name: (2S)-2-oxidanyl-3-[[5-phenyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: (2S)-3-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-hydroxy-propanoate CAS Name: (2S)-2-hydroxy-3-[[5-phenyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]propanoate IUPAC Name: (2S)-3-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-hydroxypropanoate Traditional Name: (2S)-3-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)thio]-2-hydroxy-propionate Formula: C18H16N3O3S- MolecularWeight: 354.40294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC(C(=O)[O-])O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SC[C@H](C(=O)[O-])O)C3=CC=CC=C3

InChI

InChI=1S/C18H17N3O3S/c22-15(17(23)24)12-25-18-20-19-16(14-9-5-2-6-10-14)21(18)11-13-7-3-1-4-8-13/h1-10,15,22H,11-12H2,(H,23,24)/p-1/t15-/m1/s1