2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethylphenyl)ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC)C3=CC=C(C=C3)Br

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H21BrN4OS/c1-3-14-7-5-6-8-17(14)22-18(26)13-27-20-24-23-19(25(20)4-2)15-9-11-16(21)12-10-15/h5-12H,3-4,13H2,1-2H3,(H,22,26)