N-(2-ethylphenyl)-2-[2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[[2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide CAS Name: N-(2-ethylphenyl)-2-[[1-oxo-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]ethyl]amino]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[[2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide Traditional Name: N-(2-ethylphenyl)-2-[[2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]acetamide Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CNC(=O)CSC2=NNC(=O)N2CCC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CNC(=O)CSC2=NNC(=O)N2CCC3=CC=CC=C3

InChI

InChI=1S/C22H25N5O3S/c1-2-17-10-6-7-11-18(17)24-19(28)14-23-20(29)15-31-22-26-25-21(30)27(22)13-12-16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3,(H,23,29)(H,24,28)(H,25,30)