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

Systemtic Name: 2-ethylsulfanyl-N-[5-methyl-2-(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide Openeye Name: 2-ethylsulfanyl-N-[5-methyl-2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide CAS Name: 2-(ethylthio)-N-[5-methyl-2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)-3-pyrazolyl]benzamide IUPAC Name: 2-ethylsulfanyl-N-[5-methyl-2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide Traditional Name: 2-(ethylthio)-N-[2-(4-keto-6-propyl-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]benzamide Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C)NC(=O)C3=CC=CC=C3SCC

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C)NC(=O)C3=CC=CC=C3SCC

InChI

InChI=1S/C20H23N5O2S/c1-4-8-14-12-18(26)23-20(21-14)25-17(11-13(3)24-25)22-19(27)15-9-6-7-10-16(15)28-5-2/h6-7,9-12H,4-5,8H2,1-3H3,(H,22,27)(H,21,23,26)