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

Systemtic Name: N-(4-ethoxyphenyl)-2-[4-(1-ethyl-3-methyl-pyrazol-4-yl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-ethoxyphenyl)-2-[4-(1-ethyl-3-methyl-pyrazol-4-yl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(4-ethoxyphenyl)-2-[[4-(1-ethyl-3-methyl-4-pyrazolyl)-2-pyrimidinyl]thio]acetamide IUPAC Name: N-(4-ethoxyphenyl)-2-[4-(1-ethyl-3-methylpyrazol-4-yl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-(1-ethyl-3-methyl-pyrazol-4-yl)pyrimidin-2-yl]thio]-N-p-phenetyl-acetamide Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C2=NC(=NC=C2)SCC(=O)NC3=CC=C(C=C3)OCC

Isomeric SMILES

CCN1C=C(C(=N1)C)C2=NC(=NC=C2)SCC(=O)NC3=CC=C(C=C3)OCC

InChI

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