5-azanyl-1-(3-bromophenyl)-N-(3-methylsulfanylphenyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-azanyl-1-(3-bromophenyl)-N-(3-methylsulfanylphenyl)-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-1-(3-bromophenyl)-N-(3-methylsulfanylphenyl)triazole-4-carboxamide CAS Name: 5-amino-1-(3-bromophenyl)-N-[3-(methylthio)phenyl]-4-triazolecarboxamide IUPAC Name: 5-amino-1-(3-bromophenyl)-N-(3-methylsulfanylphenyl)triazole-4-carboxamide Traditional Name: 5-amino-1-(3-bromophenyl)-N-[3-(methylthio)phenyl]triazole-4-carboxamide Formula: C16H14BrN5OS MolecularWeight: 404.28426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2=C(N(N=N2)C3=CC(=CC=C3)Br)N

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2=C(N(N=N2)C3=CC(=CC=C3)Br)N

InChI

InChI=1S/C16H14BrN5OS/c1-24-13-7-3-5-11(9-13)19-16(23)14-15(18)22(21-20-14)12-6-2-4-10(17)8-12/h2-9H,18H2,1H3,(H,19,23)