(4-methoxy-3-nitro-phenyl)methylidene-(prop-2-enylcarbamothioylamino)azanium

Systemtic Name: (4-methoxy-3-nitro-phenyl)methylidene-(prop-2-enylcarbamothioylamino)azanium Openeye Name: (allylcarbamothioylamino)-[(4-methoxy-3-nitro-phenyl)methylene]ammonium CAS Name: (4-methoxy-3-nitrophenyl)methylidene-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]ammonium IUPAC Name: (4-methoxy-3-nitrophenyl)methylidene-(prop-2-enylcarbamothioylamino)azanium Traditional Name: (allylthiocarbamoylamino)-(4-methoxy-3-nitro-benzylidene)ammonium Formula: C12H15N4O3S+ MolecularWeight: 295.3375

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=[NH+]NC(=S)NCC=C)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C=[NH+]NC(=S)NCC=C)[N+](=O)[O-]

InChI

InChI=1S/C12H14N4O3S/c1-3-6-13-12(20)15-14-8-9-4-5-11(19-2)10(7-9)16(17)18/h3-5,7-8H,1,6H2,2H3,(H2,13,15,20)/p+1