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

Systemtic Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-[4-(4-methoxyphenyl)-1-piperazinyl]-2-[[4-methyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-[4-(4-methoxyphenyl)piperazino]-2-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C21H24N6O2S MolecularWeight: 424.51926

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC)C4=CN=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC)C4=CN=CC=C4

InChI

InChI=1S/C21H24N6O2S/c1-25-20(16-4-3-9-22-14-16)23-24-21(25)30-15-19(28)27-12-10-26(11-13-27)17-5-7-18(29-2)8-6-17/h3-9,14H,10-13,15H2,1-2H3