3-ethyl-5-phenyl-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-ethyl-5-phenyl-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-ethyl-5-phenyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-ethyl-5-phenyl-2-[(1-phenyl-5-tetrazolyl)methylthio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-ethyl-5-phenyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-ethyl-5-phenyl-2-[(1-phenyltetrazol-5-yl)methylthio]thieno[2,3-d]pyrimidin-4-one Formula: C22H18N6OS2 MolecularWeight: 446.54792

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1SCC3=NN=NN3C4=CC=CC=C4)SC=C2C5=CC=CC=C5

Isomeric SMILES

CCN1C(=O)C2=C(N=C1SCC3=NN=NN3C4=CC=CC=C4)SC=C2C5=CC=CC=C5

InChI

InChI=1S/C22H18N6OS2/c1-2-27-21(29)19-17(15-9-5-3-6-10-15)13-30-20(19)23-22(27)31-14-18-24-25-26-28(18)16-11-7-4-8-12-16/h3-13H,2,14H2,1H3