4-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-butan-1-one

Systemtic Name: 4-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-butan-1-one Openeye Name: 4-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-butan-1-one CAS Name: 4-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-1-butanone IUPAC Name: 4-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylbutan-1-one Traditional Name: 4-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-butan-1-one Formula: C18H17BrN4OS MolecularWeight: 417.32278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CCCSC2=NN=C(N2N)C3=CC=CC=C3Br

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CCCSC2=NN=C(N2N)C3=CC=CC=C3Br

InChI

InChI=1S/C18H17BrN4OS/c19-15-10-5-4-9-14(15)17-21-22-18(23(17)20)25-12-6-11-16(24)13-7-2-1-3-8-13/h1-5,7-10H,6,11-12,20H2