ethyl 2-[4-(5-nitropyrazol-1-yl)pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[4-(5-nitropyrazol-1-yl)pyrimidin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[4-(5-nitropyrazol-1-yl)pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-(5-nitro-1-pyrazolyl)-2-pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(5-nitropyrazol-1-yl)pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-(5-nitropyrazol-1-yl)pyrimidin-2-yl]thio]acetic acid ethyl ester Formula: C11H11N5O4S MolecularWeight: 309.30114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC=CC(=N1)N2C(=CC=N2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CSC1=NC=CC(=N1)N2C(=CC=N2)[N+](=O)[O-]

InChI

InChI=1S/C11H11N5O4S/c1-2-20-10(17)7-21-11-12-5-3-8(14-11)15-9(16(18)19)4-6-13-15/h3-6H,2,7H2,1H3