2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C21H25N7OS MolecularWeight: 423.5345

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=NC=CC=N3)CC4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=NC=CC=N3)CC4=CC=CC=C4

InChI

InChI=1S/C21H25N7OS/c1-2-28-18(15-17-7-4-3-5-8-17)24-25-21(28)30-16-19(29)26-11-13-27(14-12-26)20-22-9-6-10-23-20/h3-10H,2,11-16H2,1H3