1-(5-bromanyl-2,3-dihydroindol-1-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(5-bromanyl-2,3-dihydroindol-1-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(5-bromoindolin-1-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(5-bromo-2,3-dihydroindol-1-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(5-bromo-2,3-dihydroindol-1-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(5-bromoindolin-1-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C18H15BrN4OS MolecularWeight: 415.3069

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C1C=C(C=C2)Br)C(=O)CSC3=NN(C=N3)C4=CC=CC=C4

Isomeric SMILES

C1CN(C2=C1C=C(C=C2)Br)C(=O)CSC3=NN(C=N3)C4=CC=CC=C4

InChI

InChI=1S/C18H15BrN4OS/c19-14-6-7-16-13(10-14)8-9-22(16)17(24)11-25-18-20-12-23(21-18)15-4-2-1-3-5-15/h1-7,10,12H,8-9,11H2