(2S)-1-phenoxy-3-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol

Systemtic Name: (2S)-1-phenoxy-3-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol Openeye Name: (2S)-1-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-3-phenoxy-propan-2-ol CAS Name: (2S)-1-phenoxy-3-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-2-propanol IUPAC Name: (2S)-1-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-phenoxypropan-2-ol Traditional Name: (2S)-1-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-3-phenoxy-propan-2-ol Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC(COC3=CC=CC=C3)O)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SC[C@H](COC3=CC=CC=C3)O)C4=CC=NC=C4

InChI

InChI=1S/C23H22N4O2S/c28-20(16-29-21-9-5-2-6-10-21)17-30-23-26-25-22(19-11-13-24-14-12-19)27(23)15-18-7-3-1-4-8-18/h1-14,20,28H,15-17H2/t20-/m0/s1