2-ethylsulfanyl-N-[2-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]benzamide

Systemtic Name: 2-ethylsulfanyl-N-[2-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]benzamide Openeye Name: 2-ethylsulfanyl-N-[2-(6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]benzamide CAS Name: 2-(ethylthio)-N-[2-(6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-thiophen-2-yl-3-pyrazolyl]benzamide IUPAC Name: 2-ethylsulfanyl-N-[2-(6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-thiophen-2-ylpyrazol-3-yl]benzamide Traditional Name: 2-(ethylthio)-N-[2-(4-keto-6-methyl-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]benzamide Formula: C21H19N5O2S2 MolecularWeight: 437.53786

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)NC2=CC(=NN2C3=NC(=O)C=C(N3)C)C4=CC=CS4

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)NC2=CC(=NN2C3=NC(=O)C=C(N3)C)C4=CC=CS4

InChI

InChI=1S/C21H19N5O2S2/c1-3-29-16-8-5-4-7-14(16)20(28)23-18-12-15(17-9-6-10-30-17)25-26(18)21-22-13(2)11-19(27)24-21/h4-12H,3H2,1-2H3,(H,23,28)(H,22,24,27)