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

Systemtic Name: ethyl 2-[4-[4-(4-chlorophenyl)pyrazol-1-yl]pyrimidin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[4-[4-(4-chlorophenyl)pyrazol-1-yl]pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-[4-(4-chlorophenyl)-1-pyrazolyl]-2-pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[4-(4-chlorophenyl)pyrazol-1-yl]pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-[4-(4-chlorophenyl)pyrazol-1-yl]pyrimidin-2-yl]thio]acetic acid ethyl ester Formula: C17H15ClN4O2S MolecularWeight: 374.8446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC=CC(=N1)N2C=C(C=N2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)CSC1=NC=CC(=N1)N2C=C(C=N2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H15ClN4O2S/c1-2-24-16(23)11-25-17-19-8-7-15(21-17)22-10-13(9-20-22)12-3-5-14(18)6-4-12/h3-10H,2,11H2,1H3