ethyl 2-[4-(4-bromanyl-3-isocyano-pyrazol-1-yl)pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[4-(4-bromanyl-3-isocyano-pyrazol-1-yl)pyrimidin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[4-(4-bromo-3-isocyano-pyrazol-1-yl)pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-(4-bromo-3-isocyano-1-pyrazolyl)-2-pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-bromo-3-isocyanopyrazol-1-yl)pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-(4-bromo-3-isocyano-pyrazol-1-yl)pyrimidin-2-yl]thio]acetic acid ethyl ester Formula: C12H10BrN5O2S MolecularWeight: 368.2091

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10BrN5O2S/c1-3-20-10(19)7-21-12-15-5-4-9(16-12)18-6-8(13)11(14-2)17-18/h4-6H,3,7H2,1H3