N-(3-ethanoylphenyl)-2-[[5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(3-ethanoylphenyl)-2-[[5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(3-acetylphenyl)-2-[[4-allyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-acetylphenyl)-2-[[5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-acetylphenyl)-2-[[5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(3-acetylphenyl)-2-[[4-allyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2CC=C)COC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2CC=C)COC3=CC=CC=C3

InChI

InChI=1S/C22H22N4O3S/c1-3-12-26-20(14-29-19-10-5-4-6-11-19)24-25-22(26)30-15-21(28)23-18-9-7-8-17(13-18)16(2)27/h3-11,13H,1,12,14-15H2,2H3,(H,23,28)