2-[[4-(carbamothioylamino)phenyl]iminomethyl]-6-nitro-phenolate

Systemtic Name: 2-[[4-(carbamothioylamino)phenyl]iminomethyl]-6-nitro-phenolate Openeye Name: 2-[[4-(carbamothioylamino)phenyl]iminomethyl]-6-nitro-phenolate CAS Name: 2-[[4-(carbamothioylamino)phenyl]iminomethyl]-6-nitrophenolate IUPAC Name: 2-[[4-(carbamothioylamino)phenyl]iminomethyl]-6-nitrophenolate Traditional Name: 2-nitro-6-[(4-thioureidophenyl)iminomethyl]phenolate Formula: C14H11N4O3S- MolecularWeight: 315.32714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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