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

Systemtic Name: 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-nitro-benzenecarbonitrile Openeye Name: 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-nitro-benzonitrile CAS Name: 4-[(4,6-dimethyl-2-pyrimidinyl)thio]-3-nitrobenzonitrile IUPAC Name: 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-nitrobenzonitrile Traditional Name: 4-[(4,6-dimethylpyrimidin-2-yl)thio]-3-nitro-benzonitrile Formula: C13H10N4O2S MolecularWeight: 286.3091

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10N4O2S/c1-8-5-9(2)16-13(15-8)20-12-4-3-10(7-14)6-11(12)17(18)19/h3-6H,1-2H3