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

Systemtic Name: N-(3-methylbutan-2-yl)-2-[[5-phenyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,2-dimethylpropyl)acetamide CAS Name: N-(3-methylbutan-2-yl)-2-[[5-phenyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylbutan-2-yl)acetamide Traditional Name: 2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(1,2-dimethylpropyl)acetamide Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)NC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(C)NC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H26N4OS/c1-16(2)17(3)23-20(27)15-28-22-25-24-21(19-12-8-5-9-13-19)26(22)14-18-10-6-4-7-11-18/h4-13,16-17H,14-15H2,1-3H3,(H,23,27)