4-(4-methylpyrimidin-2-yl)sulfanyl-3-nitro-benzaldehyde

Systemtic Name: 4-(4-methylpyrimidin-2-yl)sulfanyl-3-nitro-benzaldehyde Openeye Name: 4-(4-methylpyrimidin-2-yl)sulfanyl-3-nitro-benzaldehyde CAS Name: 4-[(4-methyl-2-pyrimidinyl)thio]-3-nitrobenzaldehyde IUPAC Name: 4-(4-methylpyrimidin-2-yl)sulfanyl-3-nitrobenzaldehyde Traditional Name: 4-[(4-methylpyrimidin-2-yl)thio]-3-nitro-benzaldehyde Formula: C12H9N3O3S MolecularWeight: 275.28316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SC2=C(C=C(C=C2)C=O)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=NC=C1)SC2=C(C=C(C=C2)C=O)[N+](=O)[O-]

InChI

InChI=1S/C12H9N3O3S/c1-8-4-5-13-12(14-8)19-11-3-2-9(7-16)6-10(11)15(17)18/h2-7H,1H3