[azanyl(2-azanylethylsulfanyl)methylidene]-(3-chlorophenyl)azanium sulfate

Systemtic Name: [azanyl(2-azanylethylsulfanyl)methylidene]-(3-chlorophenyl)azanium sulfate Openeye Name: [amino(2-aminoethylsulfanyl)methylene]-(3-chlorophenyl)ammonium sulfate CAS Name: [amino-(2-aminoethylthio)methylidene]-(3-chlorophenyl)ammonium sulfate IUPAC Name: [amino(2-aminoethylsulfanyl)methylidene]-(3-chlorophenyl)azanium sulfate Traditional Name: [amino-(2-aminoethylthio)methylene]-(3-chlorophenyl)ammonium sulfate Formula: C18H26Cl2N6O4S3 MolecularWeight: 557.53784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)[NH+]=C(N)SCCN.C1=CC(=CC(=C1)Cl)[NH+]=C(N)SCCN.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Cl)[NH+]=C(N)SCCN.C1=CC(=CC(=C1)Cl)[NH+]=C(N)SCCN.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C9H12ClN3S.H2O4S/c2*10-7-2-1-3-8(6-7)13-9(12)14-5-4-11;1-5(2,3)4/h2*1-3,6H,4-5,11H2,(H2,12,13);(H2,1,2,3,4)