3-[(5-bromanylthiophen-2-yl)methylsulfanyl]-N-(2-methylphenyl)-1H-1,2,4-triazol-5-amine

Systemtic Name: 3-[(5-bromanylthiophen-2-yl)methylsulfanyl]-N-(2-methylphenyl)-1H-1,2,4-triazol-5-amine Openeye Name: 3-[(5-bromo-2-thienyl)methylsulfanyl]-N-(o-tolyl)-1H-1,2,4-triazol-5-amine CAS Name: 3-[(5-bromo-2-thiophenyl)methylthio]-N-(2-methylphenyl)-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[(5-bromothiophen-2-yl)methylsulfanyl]-N-(2-methylphenyl)-1H-1,2,4-triazol-5-amine Traditional Name: [3-[(5-bromo-2-thienyl)methylthio]-1H-1,2,4-triazol-5-yl]-(o-tolyl)amine Formula: C14H13BrN4S2 MolecularWeight: 381.31382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NN2)SCC3=CC=C(S3)Br

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NN2)SCC3=CC=C(S3)Br

InChI

InChI=1S/C14H13BrN4S2/c1-9-4-2-3-5-11(9)16-13-17-14(19-18-13)20-8-10-6-7-12(15)21-10/h2-7H,8H2,1H3,(H2,16,17,18,19)