1-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-N-phenyl-piperidine-3-carboxamide

Systemtic Name: 1-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-N-phenyl-piperidine-3-carboxamide Openeye Name: 1-[(4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-N-phenyl-piperidine-3-carboxamide CAS Name: 1-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: 1-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-N-phenylpiperidine-3-carboxamide Traditional Name: 1-[(4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-N-phenyl-nipecotamide Formula: C16H21N5OS MolecularWeight: 331.43584

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN(C1=S)CN2CCCC(C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CN1C=NN(C1=S)CN2CCCC(C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C16H21N5OS/c1-19-11-17-21(16(19)23)12-20-9-5-6-13(10-20)15(22)18-14-7-3-2-4-8-14/h2-4,7-8,11,13H,5-6,9-10,12H2,1H3,(H,18,22)