N-[2-(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]-2-(4-fluorophenyl)sulfanyl-ethanamide

Systemtic Name: N-[2-(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]-2-(4-fluorophenyl)sulfanyl-ethanamide Openeye Name: N-[2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]-2-(4-fluorophenyl)sulfanyl-acetamide CAS Name: N-[2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-5-thiophen-2-yl-3-pyrazolyl]-2-[(4-fluorophenyl)thio]acetamide IUPAC Name: N-[2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-5-thiophen-2-ylpyrazol-3-yl]-2-(4-fluorophenyl)sulfanylacetamide Traditional Name: 2-[(4-fluorophenyl)thio]-N-[2-(4-keto-5,6-dimethyl-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]acetamide Formula: C21H18FN5O2S2 MolecularWeight: 455.528323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)N2C(=CC(=N2)C3=CC=CS3)NC(=O)CSC4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=C(NC(=NC1=O)N2C(=CC(=N2)C3=CC=CS3)NC(=O)CSC4=CC=C(C=C4)F)C

InChI

InChI=1S/C21H18FN5O2S2/c1-12-13(2)23-21(25-20(12)29)27-18(10-16(26-27)17-4-3-9-30-17)24-19(28)11-31-15-7-5-14(22)6-8-15/h3-10H,11H2,1-2H3,(H,24,28)(H,23,25,29)