2-[(3,4-dimethylphenyl)sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(3,4-dimethylphenyl)sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(3,4-dimethylphenyl)sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(3,4-dimethylphenyl)thio]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(3,4-dimethylphenyl)sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(3,4-dimethylphenyl)thio]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H18N2OS2 MolecularWeight: 378.51042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2)C

InChI

InChI=1S/C21H18N2OS2/c1-13-8-9-16(10-14(13)2)25-12-18-22-20(24)19-17(11-26-21(19)23-18)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,22,23,24)