1-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-3-(4-phenylphenoxy)propan-2-ol

Systemtic Name: 1-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-3-(4-phenylphenoxy)propan-2-ol Openeye Name: 1-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-3-(4-phenylphenoxy)propan-2-ol CAS Name: 1-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-3-(4-phenylphenoxy)-2-propanol IUPAC Name: 1-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-3-(4-phenylphenoxy)propan-2-ol Traditional Name: 1-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-3-(4-phenylphenoxy)propan-2-ol Formula: C23H21BrN4O2S MolecularWeight: 497.40744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)OCC(CSC3=NN=C(N3N)C4=CC=CC=C4Br)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)OCC(CSC3=NN=C(N3N)C4=CC=CC=C4Br)O

InChI

InChI=1S/C23H21BrN4O2S/c24-21-9-5-4-8-20(21)22-26-27-23(28(22)25)31-15-18(29)14-30-19-12-10-17(11-13-19)16-6-2-1-3-7-16/h1-13,18,29H,14-15,25H2