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

Systemtic Name: 3-[(1,3-diphenylpyrazol-4-yl)methyl]-6-methyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[(1,3-diphenylpyrazol-4-yl)methyl]-6-methyl-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[(1,3-diphenyl-4-pyrazolyl)methyl]-6-methyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 3-[(1,3-diphenylpyrazol-4-yl)methyl]-6-methyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[(1,3-diphenylpyrazol-4-yl)methyl]-6-methyl-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one Formula: C23H18N4OS2 MolecularWeight: 430.54522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(S1)NC(=S)N(C2=O)CC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(S1)NC(=S)N(C2=O)CC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C23H18N4OS2/c1-15-12-19-21(30-15)24-23(29)26(22(19)28)13-17-14-27(18-10-6-3-7-11-18)25-20(17)16-8-4-2-5-9-16/h2-12,14H,13H2,1H3,(H,24,29)