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

Systemtic Name: N-aminocarbonyl-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]-N-carbamoyl-acetamide CAS Name: 2-[[4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-N-carbamoylacetamide IUPAC Name: 2-[[4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoylacetamide Traditional Name: 2-[[4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-N-carbamoyl-acetamide Formula: C21H22BrN5O2S MolecularWeight: 488.40068

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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(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrN5O2S/c1-21(2,3)14-6-4-13(5-7-14)18-25-26-20(30-12-17(28)24-19(23)29)27(18)16-10-8-15(22)9-11-16/h4-11H,12H2,1-3H3,(H3,23,24,28,29)