1-(4-bromophenyl)-4-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]butan-1-one

Systemtic Name: 1-(4-bromophenyl)-4-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]butan-1-one Openeye Name: 1-(4-bromophenyl)-4-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]butan-1-one CAS Name: 1-(4-bromophenyl)-4-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-1-butanone IUPAC Name: 1-(4-bromophenyl)-4-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]butan-1-one Traditional Name: 1-(4-bromophenyl)-4-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]butan-1-one Formula: C25H20BrN3OS MolecularWeight: 490.4148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=NC(=N2)SCCCC(=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=NC(=N2)SCCCC(=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C25H20BrN3OS/c26-21-15-13-18(14-16-21)22(30)12-7-17-31-25-27-23(19-8-3-1-4-9-19)24(28-29-25)20-10-5-2-6-11-20/h1-6,8-11,13-16H,7,12,17H2