3-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-6-phenyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-6-phenyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-6-phenyl-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[1-[(4-chlorophenyl)methyl]-3-pyrazolyl]-6-phenyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 3-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-6-phenyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[1-(4-chlorobenzyl)pyrazol-3-yl]-6-phenyl-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one Formula: C22H15ClN4OS2 MolecularWeight: 450.9637

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(S2)NC(=S)N(C3=O)C4=NN(C=C4)CC5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(S2)NC(=S)N(C3=O)C4=NN(C=C4)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C22H15ClN4OS2/c23-16-8-6-14(7-9-16)13-26-11-10-19(25-26)27-21(28)17-12-18(15-4-2-1-3-5-15)30-20(17)24-22(27)29/h1-12H,13H2,(H,24,29)