4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-nitro-benzaldehyde

Systemtic Name: 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-nitro-benzaldehyde Openeye Name: 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-nitro-benzaldehyde CAS Name: 4-[(4,6-dimethyl-2-pyrimidinyl)thio]-3-nitrobenzaldehyde IUPAC Name: 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-nitrobenzaldehyde Traditional Name: 4-[(4,6-dimethylpyrimidin-2-yl)thio]-3-nitro-benzaldehyde Formula: C13H11N3O3S MolecularWeight: 289.30974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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