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

Systemtic Name: 3-[2-(4-chlorophenyl)sulfanylethyl]-5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(4-chlorophenyl)sulfanylethyl]-5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-[(4-chlorophenyl)thio]ethyl]-5-methyl-6-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(4-chlorophenyl)sulfanylethyl]-5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-[(4-chlorophenyl)thio]ethyl]-5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H17ClN2OS2 MolecularWeight: 412.95548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CCSC3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CCSC3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H17ClN2OS2/c1-14-18-20(27-19(14)15-5-3-2-4-6-15)23-13-24(21(18)25)11-12-26-17-9-7-16(22)8-10-17/h2-10,13H,11-12H2,1H3