2-methylpropyl 2-[(1,3-diphenylpyrazol-4-yl)methylidene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxidanylidene-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Systemtic Name: 2-methylpropyl 2-[(1,3-diphenylpyrazol-4-yl)methylidene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxidanylidene-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Openeye Name: isobutyl 2-[(1,3-diphenylpyrazol-4-yl)methylene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate CAS Name: 2-[(1,3-diphenyl-4-pyrazolyl)methylidene]-7-methyl-5-[4-(methylthio)phenyl]-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[(1,3-diphenylpyrazol-4-yl)methylidene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Traditional Name: 2-[(1,3-diphenylpyrazol-4-yl)methylene]-3-keto-7-methyl-5-[4-(methylthio)phenyl]-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid isobutyl ester Formula: C35H32N4O3S2 MolecularWeight: 620.78358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N2C(=O)C(=CC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)SC2=N1)C6=CC=C(C=C6)SC)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(C(N2C(=O)C(=CC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)SC2=N1)C6=CC=C(C=C6)SC)C(=O)OCC(C)C

InChI

InChI=1S/C35H32N4O3S2/c1-22(2)21-42-34(41)30-23(3)36-35-39(32(30)25-15-17-28(43-4)18-16-25)33(40)29(44-35)19-26-20-38(27-13-9-6-10-14-27)37-31(26)24-11-7-5-8-12-24/h5-20,22,32H,21H2,1-4H3