2-[[[3,5-bis(chloranyl)phenyl]carbamothioylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[[3,5-bis(chloranyl)phenyl]carbamothioylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[(3,5-dichlorophenyl)carbamothioylamino]methyl]-4-nitro-phenolate CAS Name: 2-[[[(3,5-dichloroanilino)-sulfanylidenemethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[(3,5-dichlorophenyl)carbamothioylamino]methyl]-4-nitrophenolate Traditional Name: 2-[[(3,5-dichlorophenyl)thiocarbamoylamino]methyl]-4-nitro-phenolate Formula: C14H10Cl2N3O3S- MolecularWeight: 371.2185

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11Cl2N3O3S/c15-9-4-10(16)6-11(5-9)18-14(23)17-7-8-3-12(19(21)22)1-2-13(8)20/h1-6,20H,7H2,(H2,17,18,23)/p-1