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

Systemtic Name: N-[3-(4-ethanoylpiperazin-1-yl)carbonylphenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[3-(4-acetylpiperazine-1-carbonyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[3-[(4-acetyl-1-piperazinyl)-oxomethyl]phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[3-(4-acetylpiperazine-1-carbonyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[3-(4-acetylpiperazine-1-carbonyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C18H22N6O3S MolecularWeight: 402.47068

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)NC(=O)CSC3=NN=CN3C

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)NC(=O)CSC3=NN=CN3C

InChI

InChI=1S/C18H22N6O3S/c1-13(25)23-6-8-24(9-7-23)17(27)14-4-3-5-15(10-14)20-16(26)11-28-18-21-19-12-22(18)2/h3-5,10,12H,6-9,11H2,1-2H3,(H,20,26)