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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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