(5Z)-1-methyl-5-[[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]methylidene]-6,7-dihydroindazol-4-one

Systemtic Name: (5Z)-1-methyl-5-[[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]methylidene]-6,7-dihydroindazol-4-one Openeye Name: (5Z)-5-[[1-benzyl-3-(2-thienyl)pyrazol-4-yl]methylene]-1-methyl-6,7-dihydroindazol-4-one CAS Name: (5Z)-1-methyl-5-[[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]methylidene]-6,7-dihydroindazol-4-one IUPAC Name: (5Z)-5-[(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-1-methyl-6,7-dihydroindazol-4-one Traditional Name: (5Z)-5-[[1-benzyl-3-(2-thienyl)pyrazol-4-yl]methylene]-1-methyl-6,7-dihydroindazol-4-one Formula: C23H20N4OS MolecularWeight: 400.4961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)C(=CC3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5)CC2

Isomeric SMILES

CN1C2=C(C=N1)C(=O)/C(=C\C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5)/CC2

InChI

InChI=1S/C23H20N4OS/c1-26-20-10-9-17(23(28)19(20)13-24-26)12-18-15-27(14-16-6-3-2-4-7-16)25-22(18)21-8-5-11-29-21/h2-8,11-13,15H,9-10,14H2,1H3/b17-12-