N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-propanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-propanamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[(4,5,6-trimethyl-2-pyrimidinyl)thio]propanamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-[(4,5,6-trimethylpyrimidin-2-yl)thio]propionamide Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1C)SC(C)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C

Isomeric SMILES

CC1=C(N=C(N=C1C)SC(C)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C

InChI

InChI=1S/C21H25N5O2S/c1-12-13(2)22-21(23-14(12)3)29-16(5)19(27)24-18-15(4)25(6)26(20(18)28)17-10-8-7-9-11-17/h7-11,16H,1-6H3,(H,24,27)