5-[[(4-chlorophenyl)amino]methyl]-2-sulfanylidene-1H-pyrimidin-4-one

Systemtic Name: 5-[[(4-chlorophenyl)amino]methyl]-2-sulfanylidene-1H-pyrimidin-4-one Openeye Name: 5-[(4-chloroanilino)methyl]-2-thioxo-1H-pyrimidin-4-one CAS Name: 5-[(4-chloroanilino)methyl]-2-sulfanylidene-1H-pyrimidin-4-one IUPAC Name: 5-[(4-chloroanilino)methyl]-2-sulfanylidene-1H-pyrimidin-4-one Traditional Name: 5-[(4-chloroanilino)methyl]-2-thioxo-1H-pyrimidin-4-one Formula: C11H10ClN3OS MolecularWeight: 267.7346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCC2=CNC(=S)NC2=O)Cl

Isomeric SMILES

C1=CC(=CC=C1NCC2=CNC(=S)NC2=O)Cl

InChI

InChI=1S/C11H10ClN3OS/c12-8-1-3-9(4-2-8)13-5-7-6-14-11(17)15-10(7)16/h1-4,6,13H,5H2,(H2,14,15,16,17)