2-chloranyl-6-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioylamino]-4-nitro-phenolate

Systemtic Name: 2-chloranyl-6-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioylamino]-4-nitro-phenolate Openeye Name: 2-chloro-6-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioylamino]-4-nitro-phenolate CAS Name: 2-chloro-6-[[[[(E)-3-(4-fluorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-4-nitrophenolate IUPAC Name: 2-chloro-6-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioylamino]-4-nitrophenolate Traditional Name: 2-chloro-6-[[(E)-3-(4-fluorophenyl)acryloyl]thiocarbamoylamino]-4-nitro-phenolate Formula: C16H10ClFN3O4S- MolecularWeight: 394.784703

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)NC(=S)NC2=CC(=CC(=C2[O-])Cl)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)NC(=S)NC2=CC(=CC(=C2[O-])Cl)[N+](=O)[O-])F

InChI

InChI=1S/C16H11ClFN3O4S/c17-12-7-11(21(24)25)8-13(15(12)23)19-16(26)20-14(22)6-3-9-1-4-10(18)5-2-9/h1-8,23H,(H2,19,20,22,26)/p-1/b6-3+