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

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-2-yl-ethanamide Openeye Name: 2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-methylbutyl)acetamide CAS Name: 2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-pentan-2-ylacetamide IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-2-ylacetamide Traditional Name: 2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(1-methylbutyl)acetamide Formula: C21H32N4OS MolecularWeight: 388.56998

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)CSC1=NN=C(N1CC)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCCC(C)NC(=O)CSC1=NN=C(N1CC)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H32N4OS/c1-7-9-15(3)22-18(26)14-27-20-24-23-19(25(20)8-2)16-10-12-17(13-11-16)21(4,5)6/h10-13,15H,7-9,14H2,1-6H3,(H,22,26)