N-(3-ethanoylphenyl)-2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(3-ethanoylphenyl)-2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(3-acetylphenyl)-2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(3-acetylphenyl)-2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-acetylphenyl)-2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-acetylphenyl)-2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)C)CC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)C)CC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O2S/c1-3-25-19(12-16-8-5-4-6-9-16)23-24-21(25)28-14-20(27)22-18-11-7-10-17(13-18)15(2)26/h4-11,13H,3,12,14H2,1-2H3,(H,22,27)