2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-nitro-benzaldehyde

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-nitro-benzaldehyde Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-nitro-benzaldehyde CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-5-nitrobenzaldehyde IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-nitrobenzaldehyde Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-5-nitro-benzaldehyde Formula: C13H11N3O3S MolecularWeight: 289.30974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C=O)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C=O)C

InChI

InChI=1S/C13H11N3O3S/c1-8-5-9(2)15-13(14-8)20-12-4-3-11(16(18)19)6-10(12)7-17/h3-7H,1-2H3