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

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-[[4-cyclohexyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[(5-benzyl-4-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-bromo-4-methyl-phenyl)acetamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[[4-cyclohexyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(5-benzyl-4-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-bromo-4-methylphenyl)acetamide Traditional Name: 2-[(5-benzyl-4-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(2-bromo-4-methyl-phenyl)acetamide Formula: C24H27BrN4OS MolecularWeight: 499.46638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2C3CCCCC3)CC4=CC=CC=C4)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2C3CCCCC3)CC4=CC=CC=C4)Br

InChI

InChI=1S/C24H27BrN4OS/c1-17-12-13-21(20(25)14-17)26-23(30)16-31-24-28-27-22(15-18-8-4-2-5-9-18)29(24)19-10-6-3-7-11-19/h2,4-5,8-9,12-14,19H,3,6-7,10-11,15-16H2,1H3,(H,26,30)