2,6-bis(bromanyl)-4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenolate

Systemtic Name: 2,6-bis(bromanyl)-4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenolate Openeye Name: 2,6-dibromo-4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenolate CAS Name: 2,6-dibromo-4-[[[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenolate IUPAC Name: 2,6-dibromo-4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenolate Traditional Name: 2,6-dibromo-4-[[(E)-3-(3-nitrophenyl)acryloyl]thiocarbamoylamino]phenolate Formula: C16H10Br2N3O4S- MolecularWeight: 500.1413

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11Br2N3O4S/c17-12-7-10(8-13(18)15(12)23)19-16(26)20-14(22)5-4-9-2-1-3-11(6-9)21(24)25/h1-8,23H,(H2,19,20,22,26)/p-1/b5-4+