2-[[4-(carbamothioylamino)phenyl]iminomethyl]-4-nitro-phenolate

Systemtic Name: 2-[[4-(carbamothioylamino)phenyl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-[[4-(carbamothioylamino)phenyl]iminomethyl]-4-nitro-phenolate CAS Name: 2-[[4-(carbamothioylamino)phenyl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-[[4-(carbamothioylamino)phenyl]iminomethyl]-4-nitrophenolate Traditional Name: 4-nitro-2-[(4-thioureidophenyl)iminomethyl]phenolate Formula: C14H11N4O3S- MolecularWeight: 315.32714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)N)N=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=S)N)N=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C14H12N4O3S/c15-14(22)17-11-3-1-10(2-4-11)16-8-9-7-12(18(20)21)5-6-13(9)19/h1-8,19H,(H3,15,17,22)/p-1