2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylphenyl]ethanamide

Systemtic Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylphenyl]ethanamide Openeye Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]acetamide CAS Name: 2-[(4-methyl-1,2,4-triazol-3-yl)thio]-N-[4-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenyl]acetamide IUPAC Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]acetamide Traditional Name: 2-[(4-methyl-1,2,4-triazol-3-yl)thio]-N-[4-[4-(2-pyrimidyl)piperazine-1-carbonyl]phenyl]acetamide Formula: C20H22N8O2S MolecularWeight: 438.50608

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CN1C=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H22N8O2S/c1-26-14-23-25-20(26)31-13-17(29)24-16-5-3-15(4-6-16)18(30)27-9-11-28(12-10-27)19-21-7-2-8-22-19/h2-8,14H,9-13H2,1H3,(H,24,29)