3-[(1,3-diphenylpyrazol-4-yl)methyl]-5-ethyl-6-methyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[(1,3-diphenylpyrazol-4-yl)methyl]-5-ethyl-6-methyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[(1,3-diphenylpyrazol-4-yl)methyl]-5-ethyl-6-methyl-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[(1,3-diphenyl-4-pyrazolyl)methyl]-5-ethyl-6-methyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 3-[(1,3-diphenylpyrazol-4-yl)methyl]-5-ethyl-6-methyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[(1,3-diphenylpyrazol-4-yl)methyl]-5-ethyl-6-methyl-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one Formula: C25H22N4OS2 MolecularWeight: 458.59838

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=C1C(=O)N(C(=S)N2)CC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CCC1=C(SC2=C1C(=O)N(C(=S)N2)CC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C25H22N4OS2/c1-3-20-16(2)32-23-21(20)24(30)28(25(31)26-23)14-18-15-29(19-12-8-5-9-13-19)27-22(18)17-10-6-4-7-11-17/h4-13,15H,3,14H2,1-2H3,(H,26,31)