N-[5-(furan-2-yl)-2-(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanyl-benzamide

Systemtic Name: N-[5-(furan-2-yl)-2-(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanyl-benzamide Openeye Name: N-[5-(2-furyl)-2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanyl-benzamide CAS Name: N-[5-(2-furanyl)-2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)-3-pyrazolyl]-2-(methylthio)benzamide IUPAC Name: N-[5-(furan-2-yl)-2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide Traditional Name: N-[5-(2-furyl)-2-(4-keto-6-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-(methylthio)benzamide Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C3=CC=CO3)NC(=O)C4=CC=CC=C4SC

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C3=CC=CO3)NC(=O)C4=CC=CC=C4SC

InChI

InChI=1S/C22H21N5O3S/c1-3-7-14-12-20(28)25-22(23-14)27-19(13-16(26-27)17-9-6-11-30-17)24-21(29)15-8-4-5-10-18(15)31-2/h4-6,8-13H,3,7H2,1-2H3,(H,24,29)(H,23,25,28)