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

Systemtic Name: N-(2-methylphenyl)-2-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl-propyl-amino]ethanamide Openeye Name: N-(o-tolyl)-2-[[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-propyl-amino]acetamide CAS Name: N-(2-methylphenyl)-2-[[1-oxo-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethyl]-propylamino]acetamide IUPAC Name: N-(2-methylphenyl)-2-[[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-propylamino]acetamide Traditional Name: N-(o-tolyl)-2-[[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetyl]-propyl-amino]acetamide Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C22H25N5O2S/c1-3-13-27(14-19(28)23-18-12-8-7-9-16(18)2)20(29)15-30-22-24-21(25-26-22)17-10-5-4-6-11-17/h4-12H,3,13-15H2,1-2H3,(H,23,28)(H,24,25,26)