3-[[1-(4-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-1-piperidin-1-yl-propan-1-one

Systemtic Name: 3-[[1-(4-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-1-piperidin-1-yl-propan-1-one Openeye Name: 1-(1-piperidyl)-3-[1-(p-tolyl)tetrazol-5-yl]sulfanyl-propan-1-one CAS Name: 3-[[1-(4-methylphenyl)-5-tetrazolyl]thio]-1-(1-piperidinyl)-1-propanone IUPAC Name: 3-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-1-piperidin-1-ylpropan-1-one Traditional Name: 1-piperidino-3-[[1-(p-tolyl)tetrazol-5-yl]thio]propan-1-one Formula: C16H21N5OS MolecularWeight: 331.43584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5OS/c1-13-5-7-14(8-6-13)21-16(17-18-19-21)23-12-9-15(22)20-10-3-2-4-11-20/h5-8H,2-4,9-12H2,1H3