3-butyl-2-[(2-chlorophenyl)methylsulfanyl]-[1]benzothiolo[3,2-d]pyrimidin-4-one

Systemtic Name: 3-butyl-2-[(2-chlorophenyl)methylsulfanyl]-[1]benzothiolo[3,2-d]pyrimidin-4-one Openeye Name: 3-butyl-2-[(2-chlorophenyl)methylsulfanyl]benzothiopheno[3,2-d]pyrimidin-4-one CAS Name: 3-butyl-2-[(2-chlorophenyl)methylthio]-[1]benzothiolo[3,2-d]pyrimidin-4-one IUPAC Name: 3-butyl-2-[(2-chlorophenyl)methylsulfanyl]-[1]benzothiolo[3,2-d]pyrimidin-4-one Traditional Name: 3-butyl-2-[(2-chlorobenzyl)thio]benzothiopheno[3,2-d]pyrimidin-4-one Formula: C21H19ClN2OS2 MolecularWeight: 414.97136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C3=CC=CC=C3S2)N=C1SCC4=CC=CC=C4Cl

Isomeric SMILES

CCCCN1C(=O)C2=C(C3=CC=CC=C3S2)N=C1SCC4=CC=CC=C4Cl

InChI

InChI=1S/C21H19ClN2OS2/c1-2-3-12-24-20(25)19-18(15-9-5-7-11-17(15)27-19)23-21(24)26-13-14-8-4-6-10-16(14)22/h4-11H,2-3,12-13H2,1H3