N-(3-ethanoylphenyl)-2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-ethanamide

Systemtic Name: N-(3-ethanoylphenyl)-2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-ethanamide Openeye Name: N-(3-acetylphenyl)-2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-acetamide CAS Name: N-(3-acetylphenyl)-2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thio]-2-phenylacetamide IUPAC Name: N-(3-acetylphenyl)-2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide Traditional Name: N-(3-acetylphenyl)-2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thio]-2-phenyl-acetamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=CN3CCOC

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=CN3CCOC

InChI

InChI=1S/C21H22N4O3S/c1-15(26)17-9-6-10-18(13-17)23-20(27)19(16-7-4-3-5-8-16)29-21-24-22-14-25(21)11-12-28-2/h3-10,13-14,19H,11-12H2,1-2H3,(H,23,27)