ethyl 2-[4-(4-chloranylpyrazol-1-yl)pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[4-(4-chloranylpyrazol-1-yl)pyrimidin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[4-(4-chloropyrazol-1-yl)pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-(4-chloro-1-pyrazolyl)-2-pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-chloropyrazol-1-yl)pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-(4-chloropyrazol-1-yl)pyrimidin-2-yl]thio]acetic acid ethyl ester Formula: C11H11ClN4O2S MolecularWeight: 298.74864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC=CC(=N1)N2C=C(C=N2)Cl

Isomeric SMILES

CCOC(=O)CSC1=NC=CC(=N1)N2C=C(C=N2)Cl

InChI

InChI=1S/C11H11ClN4O2S/c1-2-18-10(17)7-19-11-13-4-3-9(15-11)16-6-8(12)5-14-16/h3-6H,2,7H2,1H3