4-[[5-[(4-bromophenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]-N-propan-2-yl-butanamide

Systemtic Name: 4-[[5-[(4-bromophenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]-N-propan-2-yl-butanamide Openeye Name: 4-[[5-[(4-bromophenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]-N-isopropyl-butanamide CAS Name: 4-[[5-[(4-bromophenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]thio]-N-propan-2-ylbutanamide IUPAC Name: 4-[[5-[(4-bromophenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]-N-propan-2-ylbutanamide Traditional Name: 4-[[5-(4-bromobenzyl)-[1,2,4]triazin[5,6-b]indol-3-yl]thio]-N-isopropyl-butyramide Formula: C23H24BrN5OS MolecularWeight: 498.43856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CCCSC1=NC2=C(C3=CC=CC=C3N2CC4=CC=C(C=C4)Br)N=N1

Isomeric SMILES

CC(C)NC(=O)CCCSC1=NC2=C(C3=CC=CC=C3N2CC4=CC=C(C=C4)Br)N=N1

InChI

InChI=1S/C23H24BrN5OS/c1-15(2)25-20(30)8-5-13-31-23-26-22-21(27-28-23)18-6-3-4-7-19(18)29(22)14-16-9-11-17(24)12-10-16/h3-4,6-7,9-12,15H,5,8,13-14H2,1-2H3,(H,25,30)