3-(3,5-dimethylphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 3-(3,5-dimethylphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 3-(3,5-dimethylphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 3-(3,5-dimethylphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylthio]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 3-(3,5-dimethylphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 3-(3,5-dimethylphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylthio]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C22H22N4O2S2 MolecularWeight: 438.56568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=C(N=C2SCC4=NN=C(O4)C)SC5=C3CCCC5)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=C(N=C2SCC4=NN=C(O4)C)SC5=C3CCCC5)C

InChI

InChI=1S/C22H22N4O2S2/c1-12-8-13(2)10-15(9-12)26-21(27)19-16-6-4-5-7-17(16)30-20(19)23-22(26)29-11-18-25-24-14(3)28-18/h8-10H,4-7,11H2,1-3H3