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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CN=CC=C4

Isomeric SMILES

CN1CCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CN=CC=C4

InChI

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