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

Systemtic Name: 1-[4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonyl-4-methyl-piperidine Openeye Name: 1-[4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonyl-4-methyl-piperidine CAS Name: 1-[4-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]sulfonyl-4-methylpiperidine IUPAC Name: 1-[4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]sulfonyl-4-methylpiperidine Traditional Name: 1-[4-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-3-nitro-phenyl]sulfonyl-4-methyl-piperidine Formula: C16H21N5O4S2 MolecularWeight: 411.49904

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=NC(=NN1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O4S2/c1-3-15-17-16(19-18-15)26-14-5-4-12(10-13(14)21(22)23)27(24,25)20-8-6-11(2)7-9-20/h4-5,10-11H,3,6-9H2,1-2H3,(H,17,18,19)