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

Systemtic Name: 2-[[4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H21BrN4OS MolecularWeight: 445.37594

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN4OS/c1-20(2,3)14-6-4-13(5-7-14)18-23-24-19(27-12-17(22)26)25(18)16-10-8-15(21)9-11-16/h4-11H,12H2,1-3H3,(H2,22,26)