1-(azepan-1-yl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[(4,6-diphenyl-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[(4,6-diphenylpyrimidin-2-yl)thio]ethanone Formula: C24H25N3OS MolecularWeight: 403.5398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H25N3OS/c28-23(27-15-9-1-2-10-16-27)18-29-24-25-21(19-11-5-3-6-12-19)17-22(26-24)20-13-7-4-8-14-20/h3-8,11-14,17H,1-2,9-10,15-16,18H2