4-[[4-[4-bromanyl-2,6-bis(chloranyl)phenyl]sulfonylpiperazin-1-yl]methyl]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 4-[[4-[4-bromanyl-2,6-bis(chloranyl)phenyl]sulfonylpiperazin-1-yl]methyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 4-[[4-(4-bromo-2,6-dichloro-phenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-triazole-3-carbonitrile CAS Name: 4-[[4-(4-bromo-2,6-dichlorophenyl)sulfonyl-1-piperazinyl]methyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 4-[[4-(4-bromo-2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 4-[[4-(4-bromo-2,6-dichloro-phenyl)sulfonylpiperazino]methyl]-1,2,4-triazole-3-carbonitrile Formula: C14H13BrCl2N6O2S MolecularWeight: 480.16702

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C=NN=C2C#N)S(=O)(=O)C3=C(C=C(C=C3Cl)Br)Cl

Isomeric SMILES

C1CN(CCN1CN2C=NN=C2C#N)S(=O)(=O)C3=C(C=C(C=C3Cl)Br)Cl

InChI

InChI=1S/C14H13BrCl2N6O2S/c15-10-5-11(16)14(12(17)6-10)26(24,25)23-3-1-21(2-4-23)9-22-8-19-20-13(22)7-18/h5-6,8H,1-4,9H2