4-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)-1,2,4-triazole-3-carbonitrile

Systemtic Name: 4-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)-1,2,4-triazole-3-carbonitrile Openeye Name: 4-[2-nitro-4-(1-piperidylsulfonyl)phenyl]-1,2,4-triazole-3-carbonitrile CAS Name: 4-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 4-(2-nitro-4-piperidin-1-ylsulfonylphenyl)-1,2,4-triazole-3-carbonitrile Traditional Name: 4-(2-nitro-4-piperidinosulfonyl-phenyl)-1,2,4-triazole-3-carbonitrile Formula: C14H14N6O4S MolecularWeight: 362.36376

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3C=NN=C3C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3C=NN=C3C#N)[N+](=O)[O-]

InChI

InChI=1S/C14H14N6O4S/c15-9-14-17-16-10-19(14)12-5-4-11(8-13(12)20(21)22)25(23,24)18-6-2-1-3-7-18/h4-5,8,10H,1-3,6-7H2