3-butyl-2-phenacylsulfanyl-[1]benzothiolo[3,2-d]pyrimidin-4-one

Systemtic Name: 3-butyl-2-phenacylsulfanyl-[1]benzothiolo[3,2-d]pyrimidin-4-one Openeye Name: 3-butyl-2-phenacylsulfanyl-benzothiopheno[3,2-d]pyrimidin-4-one CAS Name: 3-butyl-2-(phenacylthio)-[1]benzothiolo[3,2-d]pyrimidin-4-one IUPAC Name: 3-butyl-2-phenacylsulfanyl-[1]benzothiolo[3,2-d]pyrimidin-4-one Traditional Name: 3-butyl-2-(phenacylthio)benzothiopheno[3,2-d]pyrimidin-4-one Formula: C22H20N2O2S2 MolecularWeight: 408.5364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C3=CC=CC=C3S2)N=C1SCC(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=O)C2=C(C3=CC=CC=C3S2)N=C1SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H20N2O2S2/c1-2-3-13-24-21(26)20-19(16-11-7-8-12-18(16)28-20)23-22(24)27-14-17(25)15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3