3-phenyl-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-phenyl-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-phenyl-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-phenyl-2-[[4-(1-pyrazolyl)phenyl]methylthio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-phenyl-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-phenyl-2-[(4-pyrazol-1-ylbenzyl)thio]thieno[2,3-d]pyrimidin-4-one Formula: C22H16N4OS2 MolecularWeight: 416.51864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC4=CC=C(C=C4)N5C=CC=N5)SC=C3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC4=CC=C(C=C4)N5C=CC=N5)SC=C3

InChI

InChI=1S/C22H16N4OS2/c27-21-19-11-14-28-20(19)24-22(26(21)18-5-2-1-3-6-18)29-15-16-7-9-17(10-8-16)25-13-4-12-23-25/h1-14H,15H2