N-(2,3-dimethylphenyl)-2-[4-(1-ethyl-3-methyl-pyrazol-4-yl)pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-(1-ethyl-3-methyl-pyrazol-4-yl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-(1-ethyl-3-methyl-pyrazol-4-yl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[[4-(1-ethyl-3-methyl-4-pyrazolyl)-2-pyrimidinyl]thio]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-(1-ethyl-3-methylpyrazol-4-yl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[[4-(1-ethyl-3-methyl-pyrazol-4-yl)pyrimidin-2-yl]thio]acetamide Formula: C20H23N5OS MolecularWeight: 381.49452

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C2=NC(=NC=C2)SCC(=O)NC3=CC=CC(=C3C)C

Isomeric SMILES

CCN1C=C(C(=N1)C)C2=NC(=NC=C2)SCC(=O)NC3=CC=CC(=C3C)C

InChI

InChI=1S/C20H23N5OS/c1-5-25-11-16(15(4)24-25)18-9-10-21-20(23-18)27-12-19(26)22-17-8-6-7-13(2)14(17)3/h6-11H,5,12H2,1-4H3,(H,22,26)