N-[2-(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-(furan-2-yl)pyrazol-3-yl]-2-ethylsulfanyl-benzamide

Systemtic Name: N-[2-(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-(furan-2-yl)pyrazol-3-yl]-2-ethylsulfanyl-benzamide Openeye Name: N-[2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-5-(2-furyl)pyrazol-3-yl]-2-ethylsulfanyl-benzamide CAS Name: N-[2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-5-(2-furanyl)-3-pyrazolyl]-2-(ethylthio)benzamide IUPAC Name: N-[2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-5-(furan-2-yl)pyrazol-3-yl]-2-ethylsulfanylbenzamide Traditional Name: 2-(ethylthio)-N-[5-(2-furyl)-2-(4-keto-5,6-dimethyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)NC2=CC(=NN2C3=NC(=O)C(=C(N3)C)C)C4=CC=CO4

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)NC2=CC(=NN2C3=NC(=O)C(=C(N3)C)C)C4=CC=CO4

InChI

InChI=1S/C22H21N5O3S/c1-4-31-18-10-6-5-8-15(18)21(29)24-19-12-16(17-9-7-11-30-17)26-27(19)22-23-14(3)13(2)20(28)25-22/h5-12H,4H2,1-3H3,(H,24,29)(H,23,25,28)