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

Systemtic Name: 2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[(5-isopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(5-isopropyl-1-phenyl-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:

CC(C)C1=NC(=NN1C2=CC=CC=C2)SCC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC(C)C1=NC(=NN1C2=CC=CC=C2)SCC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

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