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

Systemtic Name: 2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-3-yl-ethanamide Openeye Name: 2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-ethylpropyl)acetamide CAS Name: 2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-pentan-3-ylacetamide IUPAC Name: 2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-3-ylacetamide Traditional Name: 2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-(1-ethylpropyl)acetamide Formula: C23H28N4OS MolecularWeight: 408.55962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4OS/c1-5-19(6-2)24-21(28)15-29-23-26-25-22(18-10-8-7-9-11-18)27(23)20-13-12-16(3)17(4)14-20/h7-14,19H,5-6,15H2,1-4H3,(H,24,28)