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

Systemtic Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-pentan-2-yl-ethanamide Openeye Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-methylbutyl)acetamide CAS Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-N-pentan-2-ylacetamide IUPAC Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-pentan-2-ylacetamide Traditional Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-N-(1-methylbutyl)acetamide Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4OS/c1-3-10-16(2)22-19(26)15-27-21-24-23-20(17-11-6-4-7-12-17)25(21)18-13-8-5-9-14-18/h4-9,11-14,16H,3,10,15H2,1-2H3,(H,22,26)