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

Systemtic Name: 1-[4-[2-oxidanyl-3-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propoxy]phenyl]propan-1-one Openeye Name: 1-[4-[2-hydroxy-3-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propoxy]phenyl]propan-1-one CAS Name: 1-[4-[2-hydroxy-3-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propoxy]phenyl]-1-propanone IUPAC Name: 1-[4-[2-hydroxy-3-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propoxy]phenyl]propan-1-one Traditional Name: 1-[4-[2-hydroxy-3-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propoxy]phenyl]propan-1-one Formula: C25H24N4O3S MolecularWeight: 460.54806

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4)O

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OCC(CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4)O

InChI

InChI=1S/C25H24N4O3S/c1-2-23(31)18-8-10-22(11-9-18)32-16-21(30)17-33-25-28-27-24(19-12-14-26-15-13-19)29(25)20-6-4-3-5-7-20/h3-15,21,30H,2,16-17H2,1H3