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

Systemtic Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[[5-(3-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-[4-(2-methoxyphenyl)-1-piperazinyl]-2-[[5-(3-pyridinyl)-1H-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-[4-(2-methoxyphenyl)piperazino]-2-[[5-(3-pyridyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C20H22N6O2S MolecularWeight: 410.49268

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=NNC(=N3)C4=CN=CC=C4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=NNC(=N3)C4=CN=CC=C4

InChI

InChI=1S/C20H22N6O2S/c1-28-17-7-3-2-6-16(17)25-9-11-26(12-10-25)18(27)14-29-20-22-19(23-24-20)15-5-4-8-21-13-15/h2-8,13H,9-12,14H2,1H3,(H,22,23,24)