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

Systemtic Name: 2-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylsulfanylphenyl)propanamide Openeye Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylsulfanylphenyl)propanamide CAS Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-[2-(methylthio)phenyl]propanamide IUPAC Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylsulfanylphenyl)propanamide Traditional Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-[2-(methylthio)phenyl]propionamide Formula: C18H18BrN5OS2 MolecularWeight: 464.40242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1SC)SC2=NN=C(N2N)C3=CC=CC=C3Br

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1SC)SC2=NN=C(N2N)C3=CC=CC=C3Br

InChI

InChI=1S/C18H18BrN5OS2/c1-11(17(25)21-14-9-5-6-10-15(14)26-2)27-18-23-22-16(24(18)20)12-7-3-4-8-13(12)19/h3-11H,20H2,1-2H3,(H,21,25)