1-(5-bromanyl-2,3-dihydroindol-1-yl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(5-bromanyl-2,3-dihydroindol-1-yl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]ethanone Openeye Name: 1-(5-bromoindolin-1-yl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]ethanone CAS Name: 1-(5-bromo-2,3-dihydroindol-1-yl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]ethanone IUPAC Name: 1-(5-bromo-2,3-dihydroindol-1-yl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]ethanone Traditional Name: 1-(5-bromoindolin-1-yl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]ethanone Formula: C25H19BrN4OS MolecularWeight: 503.41356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C1C=C(C=C2)Br)C(=O)CSC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(C2=C1C=C(C=C2)Br)C(=O)CSC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H19BrN4OS/c26-20-11-12-21-19(15-20)13-14-30(21)22(31)16-32-25-27-23(17-7-3-1-4-8-17)24(28-29-25)18-9-5-2-6-10-18/h1-12,15H,13-14,16H2