1-[[1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazol-4-yl]carbonyl]piperidine-4-carboxamide

Systemtic Name: 1-[[1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazol-4-yl]carbonyl]piperidine-4-carboxamide Openeye Name: 1-[1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carbonyl]piperidine-4-carboxamide CAS Name: 1-[oxo-[1-phenyl-5-[(2-pyrimidinylthio)methyl]-4-triazolyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-[1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[1-phenyl-5-[(2-pyrimidylthio)methyl]triazole-4-carbonyl]isonipecotamide Formula: C20H21N7O2S MolecularWeight: 423.49144

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C(=O)C2=C(N(N=N2)C3=CC=CC=C3)CSC4=NC=CC=N4

Isomeric SMILES

C1CN(CCC1C(=O)N)C(=O)C2=C(N(N=N2)C3=CC=CC=C3)CSC4=NC=CC=N4

InChI

InChI=1S/C20H21N7O2S/c21-18(28)14-7-11-26(12-8-14)19(29)17-16(13-30-20-22-9-4-10-23-20)27(25-24-17)15-5-2-1-3-6-15/h1-6,9-10,14H,7-8,11-13H2,(H2,21,28)