2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanol

Systemtic Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanol Openeye Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanol CAS Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]ethanol IUPAC Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanol Traditional Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]ethanol Formula: C10H10BrN3OS MolecularWeight: 300.1749

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC(=NN2)SCCO)Br

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC(=NN2)SCCO)Br

InChI

InChI=1S/C10H10BrN3OS/c11-8-4-2-1-3-7(8)9-12-10(14-13-9)16-6-5-15/h1-4,15H,5-6H2,(H,12,13,14)