3-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine

Systemtic Name: 3-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine Openeye Name: 3-[2-nitro-4-(1-piperidylsulfonyl)phenyl]sulfanyl-[1,2,4]triazolo[4,3-a]pyridine CAS Name: 3-[[2-nitro-4-(1-piperidinylsulfonyl)phenyl]thio]-[1,2,4]triazolo[4,3-a]pyridine IUPAC Name: 3-(2-nitro-4-piperidin-1-ylsulfonylphenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine Traditional Name: 3-[(2-nitro-4-piperidinosulfonyl-phenyl)thio]-[1,2,4]triazolo[4,3-a]pyridine Formula: C17H17N5O4S2 MolecularWeight: 419.47798

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C4N3C=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C4N3C=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O4S2/c23-22(24)14-12-13(28(25,26)20-9-3-1-4-10-20)7-8-15(14)27-17-19-18-16-6-2-5-11-21(16)17/h2,5-8,11-12H,1,3-4,9-10H2