ethyl 1-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzoyl]piperidine-3-carboxylate CAS Name: 1-[[4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoyl]piperidine-3-carboxylate Traditional Name: 1-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzoyl]nipecotic acid ethyl ester Formula: C18H21N5O5S MolecularWeight: 419.45484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=C(C=C2)SC3=NN=CN3C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=C(C=C2)SC3=NN=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O5S/c1-3-28-17(25)13-5-4-8-22(10-13)16(24)12-6-7-15(14(9-12)23(26)27)29-18-20-19-11-21(18)2/h6-7,9,11,13H,3-5,8,10H2,1-2H3