4-[4-methyl-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]-N,N-diphenyl-piperidine-1-carboxamide

Systemtic Name: 4-[4-methyl-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]-N,N-diphenyl-piperidine-1-carboxamide Openeye Name: 4-[4-methyl-5-(3-pyridylmethylsulfanyl)-1,2,4-triazol-3-yl]-N,N-diphenyl-piperidine-1-carboxamide CAS Name: 4-[4-methyl-5-(3-pyridinylmethylthio)-1,2,4-triazol-3-yl]-N,N-diphenyl-1-piperidinecarboxamide IUPAC Name: 4-[4-methyl-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]-N,N-diphenylpiperidine-1-carboxamide Traditional Name: 4-[4-methyl-5-(3-pyridylmethylthio)-1,2,4-triazol-3-yl]-N,N-diphenyl-piperidine-1-carboxamide Formula: C27H28N6OS MolecularWeight: 484.61582

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CN=CC=C2)C3CCN(CC3)C(=O)N(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CN1C(=NN=C1SCC2=CN=CC=C2)C3CCN(CC3)C(=O)N(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H28N6OS/c1-31-25(29-30-26(31)35-20-21-9-8-16-28-19-21)22-14-17-32(18-15-22)27(34)33(23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-13,16,19,22H,14-15,17-18,20H2,1H3