3-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]methyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one Formula: C22H15ClN4OS MolecularWeight: 418.8987

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)CN4C=NC5=C(C4=O)C=CS5

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)CN4C=NC5=C(C4=O)C=CS5

InChI

InChI=1S/C22H15ClN4OS/c23-17-8-6-15(7-9-17)20-16(13-27(25-20)18-4-2-1-3-5-18)12-26-14-24-21-19(22(26)28)10-11-29-21/h1-11,13-14H,12H2