2-(4-methylpyrimidin-2-yl)sulfanyl-5-nitro-benzenecarbonitrile

Systemtic Name: 2-(4-methylpyrimidin-2-yl)sulfanyl-5-nitro-benzenecarbonitrile Openeye Name: 2-(4-methylpyrimidin-2-yl)sulfanyl-5-nitro-benzonitrile CAS Name: 2-[(4-methyl-2-pyrimidinyl)thio]-5-nitrobenzonitrile IUPAC Name: 2-(4-methylpyrimidin-2-yl)sulfanyl-5-nitrobenzonitrile Traditional Name: 2-[(4-methylpyrimidin-2-yl)thio]-5-nitro-benzonitrile Formula: C12H8N4O2S MolecularWeight: 272.28252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8N4O2S/c1-8-4-5-14-12(15-8)19-11-3-2-10(16(17)18)6-9(11)7-13/h2-6H,1H3