(3S)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-N,N-diphenyl-piperidine-1-carboxamide

Systemtic Name: (3S)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-N,N-diphenyl-piperidine-1-carboxamide Openeye Name: (3S)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-N,N-diphenyl-piperidine-1-carboxamide CAS Name: (3S)-3-[4-methyl-5-(methylthio)-1,2,4-triazol-3-yl]-N,N-diphenyl-1-piperidinecarboxamide IUPAC Name: (3S)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-N,N-diphenylpiperidine-1-carboxamide Traditional Name: (3S)-3-[4-methyl-5-(methylthio)-1,2,4-triazol-3-yl]-N,N-diphenyl-piperidine-1-carboxamide Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC)C2CCCN(C2)C(=O)N(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SC)[C@H]2CCCN(C2)C(=O)N(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N5OS/c1-25-20(23-24-21(25)29-2)17-10-9-15-26(16-17)22(28)27(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,17H,9-10,15-16H2,1-2H3/t17-/m0/s1