N-(5-nitro-1,3-benzothiazol-2-yl)-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-(5-nitro-1,3-benzothiazol-2-yl)-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-(5-nitro-1,3-benzothiazol-2-yl)-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-(5-nitro-1,3-benzothiazol-2-yl)-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-(5-nitro-1,3-benzothiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-(5-nitro-1,3-benzothiazol-2-yl)-2-(2-pyrimidylthio)acetamide Formula: C13H9N5O3S2 MolecularWeight: 347.37226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SCC(=O)NC2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CN=C(N=C1)SCC(=O)NC2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H9N5O3S2/c19-11(7-22-12-14-4-1-5-15-12)17-13-16-9-6-8(18(20)21)2-3-10(9)23-13/h1-6H,7H2,(H,16,17,19)