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

Systemtic Name: 2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromanyl-3-methyl-phenyl)ethanamide Openeye Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-3-methyl-phenyl)acetamide CAS Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(4-bromo-3-methylphenyl)acetamide IUPAC Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-3-methylphenyl)acetamide Traditional Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(4-bromo-3-methyl-phenyl)acetamide Formula: C17H22BrN5OS MolecularWeight: 424.35848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CSC2=NN=C(N2N)C3CCCCC3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CSC2=NN=C(N2N)C3CCCCC3)Br

InChI

InChI=1S/C17H22BrN5OS/c1-11-9-13(7-8-14(11)18)20-15(24)10-25-17-22-21-16(23(17)19)12-5-3-2-4-6-12/h7-9,12H,2-6,10,19H2,1H3,(H,20,24)