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

Systemtic Name: 2-[2-(2,5-dimethylphenyl)sulfonylethylsulfanyl]-3-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-(2,5-dimethylphenyl)sulfonylethylsulfanyl]-3-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[2-(2,5-dimethylphenyl)sulfonylethylthio]-3-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[2-(2,5-dimethylphenyl)sulfonylethylsulfanyl]-3-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[2-(2,5-dimethylphenyl)sulfonylethylthio]-3-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C22H20N2O3S3 MolecularWeight: 456.6008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)CCSC2=NC3=C(C=CS3)C(=O)N2C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)CCSC2=NC3=C(C=CS3)C(=O)N2C4=CC=CC=C4

InChI

InChI=1S/C22H20N2O3S3/c1-15-8-9-16(2)19(14-15)30(26,27)13-12-29-22-23-20-18(10-11-28-20)21(25)24(22)17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3