1-[2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-4-carboxamide CAS Name: 1-[2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-4-carboxamide Traditional Name: 1-[2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetyl]isonipecotamide Formula: C21H29N5O2S MolecularWeight: 415.55226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)N3CCC(CC3)C(=O)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)N3CCC(CC3)C(=O)N

InChI

InChI=1S/C21H29N5O2S/c1-21(2,3)16-7-5-15(6-8-16)19-23-24-20(25(19)4)29-13-17(27)26-11-9-14(10-12-26)18(22)28/h5-8,14H,9-13H2,1-4H3,(H2,22,28)