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

Systemtic Name: 2-[[4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-ethanamide Openeye Name: 2-[[4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-acetamide CAS Name: 2-[[4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-N-methylacetamide IUPAC Name: 2-[[4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide Traditional Name: 2-[[4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-N-methyl-acetamide Formula: C21H23BrN4OS MolecularWeight: 459.40252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Br)SCC(=O)NC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Br)SCC(=O)NC

InChI

InChI=1S/C21H23BrN4OS/c1-21(2,3)15-7-5-14(6-8-15)19-24-25-20(28-13-18(27)23-4)26(19)17-11-9-16(22)10-12-17/h5-12H,13H2,1-4H3,(H,23,27)