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

Systemtic Name: 2-[[[2-(4-chlorophenyl)sulfanylpyridin-3-yl]carbonylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[2-(4-chlorophenyl)sulfanylpyridine-3-carbonyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[[2-[(4-chlorophenyl)thio]-3-pyridinyl]-oxomethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[2-(4-chlorophenyl)sulfanylpyridine-3-carbonyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[2-[(4-chlorophenyl)thio]nicotinoyl]amino]methyl]-4-nitro-phenolate Formula: C19H13ClN3O4S- MolecularWeight: 414.84222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SC2=CC=C(C=C2)Cl)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC(=C(N=C1)SC2=CC=C(C=C2)Cl)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C19H14ClN3O4S/c20-13-3-6-15(7-4-13)28-19-16(2-1-9-21-19)18(25)22-11-12-10-14(23(26)27)5-8-17(12)24/h1-10,24H,11H2,(H,22,25)/p-1