4-[(2-methylsulfanylimidazol-1-yl)-phenyl-methyl]-2-nitro-aniline

Systemtic Name: 4-[(2-methylsulfanylimidazol-1-yl)-phenyl-methyl]-2-nitro-aniline Openeye Name: 4-[(2-methylsulfanylimidazol-1-yl)-phenyl-methyl]-2-nitro-aniline CAS Name: 4-[[2-(methylthio)-1-imidazolyl]-phenylmethyl]-2-nitroaniline IUPAC Name: 4-[(2-methylsulfanylimidazol-1-yl)-phenylmethyl]-2-nitroaniline Traditional Name: [4-[[2-(methylthio)imidazol-1-yl]-phenyl-methyl]-2-nitro-phenyl]amine Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=CN1C(C2=CC=CC=C2)C3=CC(=C(C=C3)N)[N+](=O)[O-]

Isomeric SMILES

CSC1=NC=CN1C(C2=CC=CC=C2)C3=CC(=C(C=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O2S/c1-24-17-19-9-10-20(17)16(12-5-3-2-4-6-12)13-7-8-14(18)15(11-13)21(22)23/h2-11,16H,18H2,1H3