bis[(2E)-2-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylidene]hydrazinyl]methylazanium chloride

Systemtic Name: bis[(2E)-2-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylidene]hydrazinyl]methylazanium chloride Openeye Name: bis[(2E)-2-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylene]hydrazino]methylammonium chloride CAS Name: bis[(2E)-2-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methylidene]hydrazinyl]methylammonium chloride IUPAC Name: bis[(2E)-2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]methylazanium chloride Traditional Name: bis[(N'E)-N'-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylene]hydrazino]methylammonium chloride Formula: C23H24Cl3N9 MolecularWeight: 532.85596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=NNC([NH3+])NN=CC2=C(N(N=C2C)C3=CC=CC=C3)Cl)Cl)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CC1=NN(C(=C1/C=N/NC(N/N=C/C2=C(N(N=C2C)C3=CC=CC=C3)Cl)[NH3+])Cl)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C23H23Cl2N9.ClH/c1-15-19(21(24)33(31-15)17-9-5-3-6-10-17)13-27-29-23(26)30-28-14-20-16(2)32-34(22(20)25)18-11-7-4-8-12-18;/h3-14,23,29-30H,26H2,1-2H3;1H/b27-13+,28-14+;