2-[[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-3-yl-ethanamide

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-3-yl-ethanamide Openeye Name: 2-[[5-(4-tert-butylphenyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-ethylpropyl)acetamide CAS Name: 2-[[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-pentan-3-ylacetamide IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-3-ylacetamide Traditional Name: 2-[[5-(4-tert-butylphenyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]-N-(1-ethylpropyl)acetamide Formula: C26H34N4OS MolecularWeight: 450.63936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N4OS/c1-7-21(8-2)27-23(31)17-32-25-29-28-24(30(25)22-15-9-18(3)10-16-22)19-11-13-20(14-12-19)26(4,5)6/h9-16,21H,7-8,17H2,1-6H3,(H,27,31)