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

Systemtic Name: 1-methyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitro-phenyl]piperazin-1-ium Openeye Name: 1-methyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitro-phenyl]piperazin-1-ium CAS Name: 1-methyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)thio]-4-nitrophenyl]piperazin-1-ium IUPAC Name: 1-methyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazin-1-ium Traditional Name: 1-methyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)thio]-4-nitro-phenyl]piperazin-1-ium Formula: C14H19N6O2S+ MolecularWeight: 335.40466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N6O2S/c1-17-5-7-19(8-6-17)11-3-4-12(20(21)22)13(9-11)23-14-16-15-10-18(14)2/h3-4,9-10H,5-8H2,1-2H3/p+1