(E)-azanyl-[(2,4-dimethylphenyl)carbamothioyl]-[(4-nitrophenyl)methylidene]azanium

Systemtic Name: (E)-azanyl-[(2,4-dimethylphenyl)carbamothioyl]-[(4-nitrophenyl)methylidene]azanium Openeye Name: (E)-amino-[(2,4-dimethylphenyl)carbamothioyl]-[(4-nitrophenyl)methylene]ammonium CAS Name: (E)-amino-[(2,4-dimethylanilino)-sulfanylidenemethyl]-[(4-nitrophenyl)methylidene]ammonium IUPAC Name: (E)-amino-[(2,4-dimethylphenyl)carbamothioyl]-[(4-nitrophenyl)methylidene]azanium Traditional Name: (E)-amino-[(2,4-dimethylphenyl)thiocarbamoyl]-(4-nitrobenzylidene)ammonium Formula: C16H17N4O2S+ MolecularWeight: 329.39678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)[N+](=CC2=CC=C(C=C2)[N+](=O)[O-])N)C

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O2S/c1-11-3-8-15(12(2)9-11)18-16(23)19(17)10-13-4-6-14(7-5-13)20(21)22/h3-10H,17H2,1-2H3/p+1/b19-10+