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

Systemtic Name: 2-[[4-(carbamothioylamino)phenyl]iminomethyl]-4-methyl-6-nitro-phenolate Openeye Name: 2-[[4-(carbamothioylamino)phenyl]iminomethyl]-4-methyl-6-nitro-phenolate CAS Name: 2-[[4-(carbamothioylamino)phenyl]iminomethyl]-4-methyl-6-nitrophenolate IUPAC Name: 2-[[4-(carbamothioylamino)phenyl]iminomethyl]-4-methyl-6-nitrophenolate Traditional Name: 4-methyl-2-nitro-6-[(4-thioureidophenyl)iminomethyl]phenolate Formula: C15H13N4O3S- MolecularWeight: 329.35372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C=NC2=CC=C(C=C2)NC(=S)N)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1)C=NC2=CC=C(C=C2)NC(=S)N)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H14N4O3S/c1-9-6-10(14(20)13(7-9)19(21)22)8-17-11-2-4-12(5-3-11)18-15(16)23/h2-8,20H,1H3,(H3,16,18,23)/p-1