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

Systemtic Name: N-(butylcarbamoyl)-2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(butylcarbamoyl)-2-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[butylamino(oxo)methyl]-2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(butylcarbamoyl)-2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(butylcarbamoyl)-2-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)C)C3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)NC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)C)C3=CC=CC=C3

InChI

InChI=1S/C22H25N5O2S/c1-3-4-14-23-21(29)24-19(28)15-30-22-26-25-20(17-8-6-5-7-9-17)27(22)18-12-10-16(2)11-13-18/h5-13H,3-4,14-15H2,1-2H3,(H2,23,24,28,29)