N-tert-butyl-2-[4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperazin-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperazin-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[1-oxo-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethyl]-1-piperazinyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetyl]piperazino]acetamide Formula: C20H28N6O2S MolecularWeight: 416.54032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1CCN(CC1)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)CN1CCN(CC1)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C20H28N6O2S/c1-20(2,3)22-16(27)13-25-9-11-26(12-10-25)17(28)14-29-19-21-18(23-24-19)15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3,(H,22,27)(H,21,23,24)