2-[[5-(2-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-propanamide

Systemtic Name: 2-[[5-(2-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-propanamide Openeye Name: 2-[[5-(2-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-propanamide CAS Name: 2-[[5-(2-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-cyclohexylpropanamide IUPAC Name: 2-[[5-(2-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylpropanamide Traditional Name: 2-[[5-(2-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-propionamide Formula: C18H23BrN4OS MolecularWeight: 423.37042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)SC2=NN=C(N2C)C3=CC=CC=C3Br

Isomeric SMILES

CC(C(=O)NC1CCCCC1)SC2=NN=C(N2C)C3=CC=CC=C3Br

InChI

InChI=1S/C18H23BrN4OS/c1-12(17(24)20-13-8-4-3-5-9-13)25-18-22-21-16(23(18)2)14-10-6-7-11-15(14)19/h6-7,10-13H,3-5,8-9H2,1-2H3,(H,20,24)