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

Systemtic Name: N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-2-[4-(1-ethyl-3-methyl-pyrazol-4-yl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-2-[4-(1-ethyl-3-methyl-pyrazol-4-yl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-[4-chloro-1-(phenylmethyl)-3-pyrazolyl]-2-[[4-(1-ethyl-3-methyl-4-pyrazolyl)-2-pyrimidinyl]thio]acetamide IUPAC Name: N-(1-benzyl-4-chloropyrazol-3-yl)-2-[4-(1-ethyl-3-methylpyrazol-4-yl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-2-[[4-(1-ethyl-3-methyl-pyrazol-4-yl)pyrimidin-2-yl]thio]acetamide Formula: C22H22ClN7OS MolecularWeight: 467.97438

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C2=NC(=NC=C2)SCC(=O)NC3=NN(C=C3Cl)CC4=CC=CC=C4

Isomeric SMILES

CCN1C=C(C(=N1)C)C2=NC(=NC=C2)SCC(=O)NC3=NN(C=C3Cl)CC4=CC=CC=C4

InChI

InChI=1S/C22H22ClN7OS/c1-3-29-12-17(15(2)27-29)19-9-10-24-22(25-19)32-14-20(31)26-21-18(23)13-30(28-21)11-16-7-5-4-6-8-16/h4-10,12-13H,3,11,14H2,1-2H3,(H,26,28,31)