4-[2-(1-methylimidazol-2-yl)sulfanylethylamino]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[2-(1-methylimidazol-2-yl)sulfanylethylamino]-3-nitro-benzenecarbonitrile Openeye Name: 4-[2-(1-methylimidazol-2-yl)sulfanylethylamino]-3-nitro-benzonitrile CAS Name: 4-[2-[(1-methyl-2-imidazolyl)thio]ethylamino]-3-nitrobenzonitrile IUPAC Name: 4-[2-(1-methylimidazol-2-yl)sulfanylethylamino]-3-nitrobenzonitrile Traditional Name: 4-[2-[(1-methylimidazol-2-yl)thio]ethylamino]-3-nitro-benzonitrile Formula: C13H13N5O2S MolecularWeight: 303.33962

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCCNC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1SCCNC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C13H13N5O2S/c1-17-6-4-16-13(17)21-7-5-15-11-3-2-10(9-14)8-12(11)18(19)20/h2-4,6,8,15H,5,7H2,1H3