N-(3,5-dimethylphenyl)-2-[(5-phenyl-2-propanoyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(3,5-dimethylphenyl)-2-[(5-phenyl-2-propanoyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3,5-dimethylphenyl)-2-[(5-phenyl-2-propanoyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(3,5-dimethylphenyl)-2-[[2-(1-oxopropyl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3,5-dimethylphenyl)-2-[(5-phenyl-2-propanoyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3,5-dimethylphenyl)-2-[(5-phenyl-2-propionyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(=NC(=N1)C2=CC=CC=C2)SCC(=O)NC3=CC(=CC(=C3)C)C

Isomeric SMILES

CCC(=O)N1C(=NC(=N1)C2=CC=CC=C2)SCC(=O)NC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C21H22N4O2S/c1-4-19(27)25-21(23-20(24-25)16-8-6-5-7-9-16)28-13-18(26)22-17-11-14(2)10-15(3)12-17/h5-12H,4,13H2,1-3H3,(H,22,26)