N-tert-butyl-5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-1,3,4-thiadiazol-2-amine

Systemtic Name: N-tert-butyl-5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-1,3,4-thiadiazol-2-amine Openeye Name: N-tert-butyl-5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-1,3,4-thiadiazol-2-amine CAS Name: N-tert-butyl-5-[[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitrophenyl]thio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-tert-butyl-5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitrophenyl]sulfanyl-1,3,4-thiadiazol-2-amine Traditional Name: tert-butyl-[5-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]thio]-1,3,4-thiadiazol-2-yl]amine Formula: C17H25N6O4S3+ MolecularWeight: 473.6132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NN=C(S1)SC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NC1=NN=C(S1)SC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C17H24N6O4S3/c1-17(2,3)18-15-19-20-16(29-15)28-14-6-5-12(11-13(14)23(24)25)30(26,27)22-9-7-21(4)8-10-22/h5-6,11H,7-10H2,1-4H3,(H,18,19)/p+1