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

Systemtic Name: N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-2-(4-propoxypyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-2-(4-propoxypyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[4-chloro-1-(phenylmethyl)-3-pyrazolyl]-2-[(4-propoxy-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(1-benzyl-4-chloropyrazol-3-yl)-2-(4-propoxypyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-2-[(4-propoxypyrimidin-2-yl)thio]acetamide Formula: C19H20ClN5O2S MolecularWeight: 417.9124

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC(=NC=C1)SCC(=O)NC2=NN(C=C2Cl)CC3=CC=CC=C3

Isomeric SMILES

CCCOC1=NC(=NC=C1)SCC(=O)NC2=NN(C=C2Cl)CC3=CC=CC=C3

InChI

InChI=1S/C19H20ClN5O2S/c1-2-10-27-17-8-9-21-19(23-17)28-13-16(26)22-18-15(20)12-25(24-18)11-14-6-4-3-5-7-14/h3-9,12H,2,10-11,13H2,1H3,(H,22,24,26)