2,6-bis(chloranyl)-4-[(3-nitrophenyl)carbamothioylamino]phenolate

Systemtic Name: 2,6-bis(chloranyl)-4-[(3-nitrophenyl)carbamothioylamino]phenolate Openeye Name: 2,6-dichloro-4-[(3-nitrophenyl)carbamothioylamino]phenolate CAS Name: 2,6-dichloro-4-[[(3-nitroanilino)-sulfanylidenemethyl]amino]phenolate IUPAC Name: 2,6-dichloro-4-[(3-nitrophenyl)carbamothioylamino]phenolate Traditional Name: 2,6-dichloro-4-[(3-nitrophenyl)thiocarbamoylamino]phenolate Formula: C13H8Cl2N3O3S- MolecularWeight: 357.19192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9Cl2N3O3S/c14-10-5-8(6-11(15)12(10)19)17-13(22)16-7-2-1-3-9(4-7)18(20)21/h1-6,19H,(H2,16,17,22)/p-1