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

Systemtic Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(4-pyridin-2-ylpiperazin-1-yl)carbonylphenyl]ethanamide Openeye Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-[4-(2-pyridyl)piperazine-1-carbonyl]phenyl]acetamide CAS Name: 2-[(4-methyl-1,2,4-triazol-3-yl)thio]-N-[4-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]phenyl]acetamide IUPAC Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]acetamide Traditional Name: 2-[(4-methyl-1,2,4-triazol-3-yl)thio]-N-[4-[4-(2-pyridyl)piperazine-1-carbonyl]phenyl]acetamide Formula: C21H23N7O2S MolecularWeight: 437.51802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N7O2S/c1-26-15-23-25-21(26)31-14-19(29)24-17-7-5-16(6-8-17)20(30)28-12-10-27(11-13-28)18-4-2-3-9-22-18/h2-9,15H,10-14H2,1H3,(H,24,29)