2-[[(2-methylsulfanyl-3-phenyl-imidazol-4-yl)carbonylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[(2-methylsulfanyl-3-phenyl-imidazol-4-yl)carbonylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[(2-methylsulfanyl-3-phenyl-imidazole-4-carbonyl)amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[[2-(methylthio)-3-phenyl-4-imidazolyl]-oxomethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[(2-methylsulfanyl-3-phenylimidazole-4-carbonyl)amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[2-(methylthio)-3-phenyl-imidazole-4-carbonyl]amino]methyl]-4-nitro-phenolate Formula: C18H15N4O4S- MolecularWeight: 383.4011

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N1C2=CC=CC=C2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

CSC1=NC=C(N1C2=CC=CC=C2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C18H16N4O4S/c1-27-18-20-11-15(21(18)13-5-3-2-4-6-13)17(24)19-10-12-9-14(22(25)26)7-8-16(12)23/h2-9,11,23H,10H2,1H3,(H,19,24)/p-1