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

Systemtic Name: 1-[3-methoxy-4-[2-oxidanyl-3-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propoxy]phenyl]ethanone Openeye Name: 1-[4-[2-hydroxy-3-[[4-phenyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]propoxy]-3-methoxy-phenyl]ethanone CAS Name: 1-[4-[2-hydroxy-3-[[4-phenyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]propoxy]-3-methoxyphenyl]ethanone IUPAC Name: 1-[4-[2-hydroxy-3-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propoxy]-3-methoxyphenyl]ethanone Traditional Name: 1-[4-[2-hydroxy-3-[(4-phenyl-5-piperidino-1,2,4-triazol-3-yl)thio]propoxy]-3-methoxy-phenyl]ethanone Formula: C25H30N4O4S MolecularWeight: 482.5951

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O4S/c1-18(30)19-11-12-22(23(15-19)32-2)33-16-21(31)17-34-25-27-26-24(28-13-7-4-8-14-28)29(25)20-9-5-3-6-10-20/h3,5-6,9-12,15,21,31H,4,7-8,13-14,16-17H2,1-2H3