1-[4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonylpiperidine

Systemtic Name: 1-[4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonylpiperidine Openeye Name: 1-[4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonylpiperidine CAS Name: 1-[4-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]sulfonylpiperidine IUPAC Name: 1-[4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]sulfonylpiperidine Traditional Name: 1-[4-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-3-nitro-phenyl]sulfonylpiperidine Formula: C15H19N5O4S2 MolecularWeight: 397.47246

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCC1=NC(=NN1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C15H19N5O4S2/c1-2-14-16-15(18-17-14)25-13-7-6-11(10-12(13)20(21)22)26(23,24)19-8-4-3-5-9-19/h6-7,10H,2-5,8-9H2,1H3,(H,16,17,18)