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

Systemtic Name: N-[5-methyl-2-(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanyl-benzamide Openeye Name: N-[5-methyl-2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanyl-benzamide CAS Name: N-[5-methyl-2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)-3-pyrazolyl]-2-(methylthio)benzamide IUPAC Name: N-[5-methyl-2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide Traditional Name: N-[2-(4-keto-6-propyl-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]-2-(methylthio)benzamide Formula: C19H21N5O2S MolecularWeight: 383.46734

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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=C3SC

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C)NC(=O)C3=CC=CC=C3SC

InChI

InChI=1S/C19H21N5O2S/c1-4-7-13-11-17(25)22-19(20-13)24-16(10-12(2)23-24)21-18(26)14-8-5-6-9-15(14)27-3/h5-6,8-11H,4,7H2,1-3H3,(H,21,26)(H,20,22,25)