N-(4-methylpiperazin-4-ium-1-yl)-1-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]methanimine

Systemtic Name: N-(4-methylpiperazin-4-ium-1-yl)-1-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]methanimine Openeye Name: N-(4-methylpiperazin-4-ium-1-yl)-1-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]methanimine CAS Name: N-(4-methyl-1-piperazin-4-iumyl)-1-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]methanimine IUPAC Name: N-(4-methylpiperazin-4-ium-1-yl)-1-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]methanimine Traditional Name: (Z)-(4-methylpiperazin-4-ium-1-yl)-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzylidene]amine Formula: C15H20N7O2S+ MolecularWeight: 362.43

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)N=CC2=CC(=C(C=C2)SC3=NN=CN3C)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)/N=C\C2=CC(=C(C=C2)SC3=NN=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C15H19N7O2S/c1-19-5-7-21(8-6-19)17-10-12-3-4-14(13(9-12)22(23)24)25-15-18-16-11-20(15)2/h3-4,9-11H,5-8H2,1-2H3/p+1/b17-10-