N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

Systemtic Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Openeye Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide CAS Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide IUPAC Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Traditional Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotamide Formula: C16H16F3N5O3S MolecularWeight: 415.39015

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)NC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(S1)NC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H16F3N5O3S/c1-9-21-22-15(28-9)20-14(25)10-4-6-23(7-5-10)12-3-2-11(16(17,18)19)8-13(12)24(26)27/h2-3,8,10H,4-7H2,1H3,(H,20,22,25)