3-methyl-5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-1,2,4-triazol-4-amine

Systemtic Name: 3-methyl-5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-1,2,4-triazol-4-amine Openeye Name: 3-methyl-5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-1,2,4-triazol-4-amine CAS Name: 3-methyl-5-[[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitrophenyl]thio]-1,2,4-triazol-4-amine IUPAC Name: 3-methyl-5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitrophenyl]sulfanyl-1,2,4-triazol-4-amine Traditional Name: [3-methyl-5-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]thio]-1,2,4-triazol-4-yl]amine Formula: C14H20N7O4S2+ MolecularWeight: 414.4831

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1N)SC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(N1N)SC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C14H19N7O4S2/c1-10-16-17-14(20(10)15)26-13-4-3-11(9-12(13)21(22)23)27(24,25)19-7-5-18(2)6-8-19/h3-4,9H,5-8,15H2,1-2H3/p+1