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

Systemtic Name: 1-[4-[2-oxidanyl-3-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propoxy]phenyl]propan-1-one Openeye Name: 1-[4-[2-hydroxy-3-[[4-phenyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]propoxy]phenyl]propan-1-one CAS Name: 1-[4-[2-hydroxy-3-[[4-phenyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]propoxy]phenyl]-1-propanone IUPAC Name: 1-[4-[2-hydroxy-3-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propoxy]phenyl]propan-1-one Traditional Name: 1-[4-[2-hydroxy-3-[(4-phenyl-5-piperidino-1,2,4-triazol-3-yl)thio]propoxy]phenyl]propan-1-one Formula: C25H30N4O3S MolecularWeight: 466.5957

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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)N4CCCCC4)O

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OCC(CSC2=NN=C(N2C3=CC=CC=C3)N4CCCCC4)O

InChI

InChI=1S/C25H30N4O3S/c1-2-23(31)19-11-13-22(14-12-19)32-17-21(30)18-33-25-27-26-24(28-15-7-4-8-16-28)29(25)20-9-5-3-6-10-20/h3,5-6,9-14,21,30H,2,4,7-8,15-18H2,1H3