4-[[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 4-[[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 4-[[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-carbonitrile CAS Name: 4-[[4-(4-bromo-2-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 4-[[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 4-[[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-carbonitrile Formula: C14H15BrClN6O2S+ MolecularWeight: 446.7299

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C=NN=C2C#N)S(=O)(=O)C3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

C1CN(CC[NH+]1CN2C=NN=C2C#N)S(=O)(=O)C3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C14H14BrClN6O2S/c15-11-1-2-13(12(16)7-11)25(23,24)22-5-3-20(4-6-22)10-21-9-18-19-14(21)8-17/h1-2,7,9H,3-6,10H2/p+1