3-nitro-4-pyrimidin-2-ylsulfanyl-benzaldehyde

Systemtic Name: 3-nitro-4-pyrimidin-2-ylsulfanyl-benzaldehyde Openeye Name: 3-nitro-4-pyrimidin-2-ylsulfanyl-benzaldehyde CAS Name: 3-nitro-4-(2-pyrimidinylthio)benzaldehyde IUPAC Name: 3-nitro-4-pyrimidin-2-ylsulfanylbenzaldehyde Traditional Name: 3-nitro-4-(2-pyrimidylthio)benzaldehyde Formula: C11H7N3O3S MolecularWeight: 261.25658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H7N3O3S/c15-7-8-2-3-10(9(6-8)14(16)17)18-11-12-4-1-5-13-11/h1-7H