(2R)-1-phenyl-2-[[4-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one

Systemtic Name: (2R)-1-phenyl-2-[[4-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Openeye Name: (2R)-2-[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-propan-1-one CAS Name: (2R)-1-phenyl-2-[[4-(phenylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: (2R)-2-[(4-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylpropan-1-one Traditional Name: (2R)-2-[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-propan-1-one Formula: C23H20N4OS MolecularWeight: 400.4961

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1)SC2=NN=C(N2CC3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

C[C@H](C(=O)C1=CC=CC=C1)SC2=NN=C(N2CC3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C23H20N4OS/c1-17(21(28)19-11-6-3-7-12-19)29-23-26-25-22(20-13-8-14-24-15-20)27(23)16-18-9-4-2-5-10-18/h2-15,17H,16H2,1H3/t17-/m1/s1