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

Systemtic Name: 1-[4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonyl-3,5-dimethyl-piperidine Openeye Name: 1-[4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonyl-3,5-dimethyl-piperidine CAS Name: 1-[4-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]sulfonyl-3,5-dimethylpiperidine IUPAC Name: 1-[4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]sulfonyl-3,5-dimethylpiperidine Traditional Name: 1-[4-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-3-nitro-phenyl]sulfonyl-3,5-dimethyl-piperidine Formula: C17H23N5O4S2 MolecularWeight: 425.52562

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SC2=C(C=C(C=C2)S(=O)(=O)N3CC(CC(C3)C)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=NC(=NN1)SC2=C(C=C(C=C2)S(=O)(=O)N3CC(CC(C3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H23N5O4S2/c1-4-16-18-17(20-19-16)27-15-6-5-13(8-14(15)22(23)24)28(25,26)21-9-11(2)7-12(3)10-21/h5-6,8,11-12H,4,7,9-10H2,1-3H3,(H,18,19,20)