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

Systemtic Name: 4-[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]-N-phenyl-piperidine-1-carboxamide Openeye Name: 4-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-N-phenyl-piperidine-1-carboxamide CAS Name: 4-[4-methyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]-N-phenyl-1-piperidinecarboxamide IUPAC Name: 4-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-N-phenylpiperidine-1-carboxamide Traditional Name: 4-[5-(benzylthio)-4-methyl-1,2,4-triazol-3-yl]-N-phenyl-piperidine-1-carboxamide Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=C2)C3CCN(CC3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2)C3CCN(CC3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H25N5OS/c1-26-20(24-25-22(26)29-16-17-8-4-2-5-9-17)18-12-14-27(15-13-18)21(28)23-19-10-6-3-7-11-19/h2-11,18H,12-16H2,1H3,(H,23,28)