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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=N2)SCCC(=O)N3CCCCC3

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=N2)SCCC(=O)N3CCCCC3

InChI

InChI=1S/C16H21N5OS/c1-13-7-3-4-8-14(13)21-16(17-18-19-21)23-12-9-15(22)20-10-5-2-6-11-20/h3-4,7-8H,2,5-6,9-12H2,1H3