N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]-1-ethanoyl-piperidine-4-carboxamide

Systemtic Name: N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]-1-ethanoyl-piperidine-4-carboxamide Openeye Name: 1-acetyl-N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]piperidine-4-carboxamide CAS Name: 1-acetyl-N-[3-[(4-chlorophenyl)methylthio]-1H-1,2,4-triazol-5-yl]-4-piperidinecarboxamide IUPAC Name: 1-acetyl-N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]piperidine-4-carboxamide Traditional Name: 1-acetyl-N-[3-[(4-chlorobenzyl)thio]-1H-1,2,4-triazol-5-yl]isonipecotamide Formula: C17H20ClN5O2S MolecularWeight: 393.891

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)C(=O)NC2=NC(=NN2)SCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)N1CCC(CC1)C(=O)NC2=NC(=NN2)SCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H20ClN5O2S/c1-11(24)23-8-6-13(7-9-23)15(25)19-16-20-17(22-21-16)26-10-12-2-4-14(18)5-3-12/h2-5,13H,6-10H2,1H3,(H2,19,20,21,22,25)