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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N(C)CC2=CC=C(C=C2)Br)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N(C)CC2=CC=C(C=C2)Br)C3=CC=CC=C3

InChI

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