3-nitro-4-pyrimidin-2-ylsulfanyl-benzamide

Systemtic Name: 3-nitro-4-pyrimidin-2-ylsulfanyl-benzamide Openeye Name: 3-nitro-4-pyrimidin-2-ylsulfanyl-benzamide CAS Name: 3-nitro-4-(2-pyrimidinylthio)benzamide IUPAC Name: 3-nitro-4-pyrimidin-2-ylsulfanylbenzamide Traditional Name: 3-nitro-4-(2-pyrimidylthio)benzamide Formula: C11H8N4O3S MolecularWeight: 276.27122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CN=C(N=C1)SC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C11H8N4O3S/c12-10(16)7-2-3-9(8(6-7)15(17)18)19-11-13-4-1-5-14-11/h1-6H,(H2,12,16)