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

Systemtic Name: N-tert-butyl-2-[methyl-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]amino]ethanamide Openeye Name: N-tert-butyl-2-[methyl-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide CAS Name: N-tert-butyl-2-[methyl-[1-oxo-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethyl]amino]acetamide IUPAC Name: N-tert-butyl-2-[methyl-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide Traditional Name: N-tert-butyl-2-[methyl-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]acetamide Formula: C17H23N5O2S MolecularWeight: 361.46182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN(C)C(=O)CSC1=NNC(=N1)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)NC(=O)CN(C)C(=O)CSC1=NNC(=N1)C2=CC=CC=C2

InChI

InChI=1S/C17H23N5O2S/c1-17(2,3)19-13(23)10-22(4)14(24)11-25-16-18-15(20-21-16)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3,(H,19,23)(H,18,20,21)