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

Systemtic Name: 2-[[4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-3-yl-ethanamide Openeye Name: 2-[[4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-ethylpropyl)acetamide CAS Name: 2-[[4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-N-pentan-3-ylacetamide IUPAC Name: 2-[[4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-3-ylacetamide Traditional Name: 2-[[4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-N-(1-ethylpropyl)acetamide Formula: C25H31BrN4OS MolecularWeight: 515.50884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31BrN4OS/c1-6-20(7-2)27-22(31)16-32-24-29-28-23(30(24)21-14-12-19(26)13-15-21)17-8-10-18(11-9-17)25(3,4)5/h8-15,20H,6-7,16H2,1-5H3,(H,27,31)