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

Systemtic Name: (4-chloranyl-3-nitro-phenyl)methylidene-(prop-2-enylcarbamothioylamino)azanium Openeye Name: (allylcarbamothioylamino)-[(4-chloro-3-nitro-phenyl)methylene]ammonium CAS Name: (4-chloro-3-nitrophenyl)methylidene-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]ammonium IUPAC Name: (4-chloro-3-nitrophenyl)methylidene-(prop-2-enylcarbamothioylamino)azanium Traditional Name: (allylthiocarbamoylamino)-(4-chloro-3-nitro-benzylidene)ammonium Formula: C11H12ClN4O2S+ MolecularWeight: 299.75658

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)N[NH+]=CC1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

C=CCNC(=S)N[NH+]=CC1=CC(=C(C=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C11H11ClN4O2S/c1-2-5-13-11(19)15-14-7-8-3-4-9(12)10(6-8)16(17)18/h2-4,6-7H,1,5H2,(H2,13,15,19)/p+1