6-methyl-5-[(R)-[(4S)-3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl]-phenyl-methyl]-2-sulfanylidene-5H-pyrimidin-4-one

Systemtic Name: 6-methyl-5-[(R)-[(4S)-3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl]-phenyl-methyl]-2-sulfanylidene-5H-pyrimidin-4-one Openeye Name: 6-methyl-5-[(R)-[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]-phenyl-methyl]-2-thioxo-5H-pyrimidin-4-one CAS Name: 6-methyl-5-[(R)-[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]-phenylmethyl]-2-sulfanylidene-5H-pyrimidin-4-one IUPAC Name: 6-methyl-5-[(R)-[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]-phenylmethyl]-2-sulfanylidene-5H-pyrimidin-4-one Traditional Name: 5-[(R)-[(4S)-5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl]-phenyl-methyl]-6-methyl-2-thioxo-5H-pyrimidin-4-one Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=S)NC(=O)C1C(C2C(=NN(C2=O)C3=CC=CC=C3)C)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=O)[C@H]1[C@@H](C2C(=NC(=S)NC2=O)C)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H20N4O2S/c1-13-17(20(27)24-22(29)23-13)19(15-9-5-3-6-10-15)18-14(2)25-26(21(18)28)16-11-7-4-8-12-16/h3-12,17-19H,1-2H3,(H,24,27,29)/t17?,18-,19-/m1/s1