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

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C23H25BrN4OS MolecularWeight: 485.4398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NN=C(N2C3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NN=C(N2C3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C23H25BrN4OS/c1-16-14-18(24)12-13-20(16)25-21(29)15-30-23-27-26-22(17-8-4-2-5-9-17)28(23)19-10-6-3-7-11-19/h2,4-5,8-9,12-14,19H,3,6-7,10-11,15H2,1H3,(H,25,29)