2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(3-chlorophenyl)methylthio]-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(3-chlorobenzyl)thio]-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H15ClN2OS2 MolecularWeight: 398.9289

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=C(NC2=O)SCC3=CC(=CC=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(S1)N=C(NC2=O)SCC3=CC(=CC=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C20H15ClN2OS2/c1-12-16(14-7-3-2-4-8-14)17-18(24)22-20(23-19(17)26-12)25-11-13-6-5-9-15(21)10-13/h2-10H,11H2,1H3,(H,22,23,24)