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

Systemtic Name: ethyl 2-[4-(4-isocyanopyrazol-1-yl)pyrimidin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[4-(4-isocyanopyrazol-1-yl)pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-(4-isocyano-1-pyrazolyl)-2-pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-isocyanopyrazol-1-yl)pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-(4-isocyanopyrazol-1-yl)pyrimidin-2-yl]thio]acetic acid ethyl ester Formula: C12H11N5O2S MolecularWeight: 289.31304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N5O2S/c1-3-19-11(18)8-20-12-14-5-4-10(16-12)17-7-9(13-2)6-15-17/h4-7H,3,8H2,1H3