N-(4-bromanyl-2-ethyl-6-methyl-phenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-bromanyl-2-ethyl-6-methyl-phenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-bromo-2-ethyl-6-methyl-phenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4-bromo-2-ethyl-6-methylphenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-bromo-2-ethyl-6-methylphenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-bromo-2-ethyl-6-methyl-phenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C20H21BrN4OS MolecularWeight: 445.37594

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC(=C1)Br)C)NC(=O)CSC2=NN=C(N2C)C3=CC=CC=C3

Isomeric SMILES

CCC1=C(C(=CC(=C1)Br)C)NC(=O)CSC2=NN=C(N2C)C3=CC=CC=C3

InChI

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