5-phenyl-2-[(4-propan-2-ylphenyl)methylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-phenyl-2-[(4-propan-2-ylphenyl)methylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(4-isopropylphenyl)methylsulfanyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-phenyl-2-[(4-propan-2-ylphenyl)methylthio]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-phenyl-2-[(4-propan-2-ylphenyl)methylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(4-isopropylbenzyl)thio]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H20N2OS2 MolecularWeight: 392.537

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C22H20N2OS2/c1-14(2)16-10-8-15(9-11-16)12-27-22-23-20(25)19-18(13-26-21(19)24-22)17-6-4-3-5-7-17/h3-11,13-14H,12H2,1-2H3,(H,23,24,25)