2-[[[2-(2,4-dimethylphenyl)sulfanylpyridin-3-yl]carbonylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[[2-(2,4-dimethylphenyl)sulfanylpyridin-3-yl]carbonylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[2-(2,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[[2-[(2,4-dimethylphenyl)thio]-3-pyridinyl]-oxomethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[2-(2,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[2-[(2,4-dimethylphenyl)thio]nicotinoyl]amino]methyl]-4-nitro-phenolate Formula: C21H18N3O4S- MolecularWeight: 408.45032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SC2=C(C=CC=N2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)SC2=C(C=CC=N2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-])C

InChI

InChI=1S/C21H19N3O4S/c1-13-5-8-19(14(2)10-13)29-21-17(4-3-9-22-21)20(26)23-12-15-11-16(24(27)28)6-7-18(15)25/h3-11,25H,12H2,1-2H3,(H,23,26)/p-1