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

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

CCC1=CC=CC=C1NC(=O)CSC2=NC(=NN2C(=O)CC)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CSC2=NC(=NN2C(=O)CC)C3=CC=CC=C3

InChI

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