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

Systemtic Name: 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-[[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-[[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one Formula: C21H20N4O2S2 MolecularWeight: 424.5391

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(O2)SCC3=NC4=C(C5=C(S4)CCCC5)C(=O)N3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(O2)SCC3=NC4=C(C5=C(S4)CCCC5)C(=O)N3)C

InChI

InChI=1S/C21H20N4O2S2/c1-11-7-8-13(9-12(11)2)19-24-25-21(27-19)28-10-16-22-18(26)17-14-5-3-4-6-15(14)29-20(17)23-16/h7-9H,3-6,10H2,1-2H3,(H,22,23,26)