N-[(4-bromanylthiophen-2-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline

Systemtic Name: N-[(4-bromanylthiophen-2-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline Openeye Name: N-[(4-bromo-2-thienyl)methyl]-3-(1,2,4-triazol-4-yl)aniline CAS Name: N-[(4-bromo-2-thiophenyl)methyl]-3-(1,2,4-triazol-4-yl)aniline IUPAC Name: N-[(4-bromothiophen-2-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline Traditional Name: (4-bromo-2-thienyl)methyl-[3-(1,2,4-triazol-4-yl)phenyl]amine Formula: C13H11BrN4S MolecularWeight: 335.22224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NCC2=CC(=CS2)Br)N3C=NN=C3

Isomeric SMILES

C1=CC(=CC(=C1)NCC2=CC(=CS2)Br)N3C=NN=C3

InChI

InChI=1S/C13H11BrN4S/c14-10-4-13(19-7-10)6-15-11-2-1-3-12(5-11)18-8-16-17-9-18/h1-5,7-9,15H,6H2