N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[2-[(1-methyl-2-imidazolyl)thio]ethyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-4-methylsulfonyl-2-nitroaniline Traditional Name: (4-mesyl-2-nitro-phenyl)-[2-[(1-methylimidazol-2-yl)thio]ethyl]amine Formula: C13H16N4O4S2 MolecularWeight: 356.42054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O4S2/c1-16-7-5-15-13(16)22-8-6-14-11-4-3-10(23(2,20)21)9-12(11)17(18)19/h3-5,7,9,14H,6,8H2,1-2H3