2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(2-pyridyl)piperazin-1-yl]ethanone CAS Name: 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-[4-(2-pyridinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-[4-(2-pyridyl)piperazino]ethanone Formula: C26H26N6O2S MolecularWeight: 486.58864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C26H26N6O2S/c1-34-22-12-10-20(11-13-22)25-28-29-26(32(25)21-7-3-2-4-8-21)35-19-24(33)31-17-15-30(16-18-31)23-9-5-6-14-27-23/h2-14H,15-19H2,1H3