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

Systemtic Name: 2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(2-pyridyl)piperazin-1-yl]ethanone CAS Name: 2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-[4-(2-pyridinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]-1-[4-(2-pyridyl)piperazino]ethanone Formula: C21H24N6OS MolecularWeight: 408.51986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C21H24N6OS/c1-16-6-8-17(9-7-16)20-23-24-21(25(20)2)29-15-19(28)27-13-11-26(12-14-27)18-5-3-4-10-22-18/h3-10H,11-15H2,1-2H3