2-[[1-(2,5-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[[1-(2,5-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-(1-piperidyl)ethanone CAS Name: 2-[[1-(2,5-dimethylphenyl)-5-tetrazolyl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-piperidin-1-ylethanone Traditional Name: 2-[[1-(2,5-dimethylphenyl)tetrazol-5-yl]thio]-1-piperidino-ethanone Formula: C16H21N5OS MolecularWeight: 331.43584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=NN=N2)SCC(=O)N3CCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=NN=N2)SCC(=O)N3CCCCC3

InChI

InChI=1S/C16H21N5OS/c1-12-6-7-13(2)14(10-12)21-16(17-18-19-21)23-11-15(22)20-8-4-3-5-9-20/h6-7,10H,3-5,8-9,11H2,1-2H3