ethyl 2-[4-(3-isocyanoindazol-1-yl)pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[4-(3-isocyanoindazol-1-yl)pyrimidin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[4-(3-isocyanoindazol-1-yl)pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-(3-isocyano-1-indazolyl)-2-pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(3-isocyanoindazol-1-yl)pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-(3-isocyanoindazol-1-yl)pyrimidin-2-yl]thio]acetic acid ethyl ester Formula: C16H13N5O2S MolecularWeight: 339.37172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC=CC(=N1)N2C3=CC=CC=C3C(=N2)[N+]#[C-]

Isomeric SMILES

CCOC(=O)CSC1=NC=CC(=N1)N2C3=CC=CC=C3C(=N2)[N+]#[C-]

InChI

InChI=1S/C16H13N5O2S/c1-3-23-14(22)10-24-16-18-9-8-13(19-16)21-12-7-5-4-6-11(12)15(17-2)20-21/h4-9H,3,10H2,1H3