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

Systemtic Name: 2-[[1-(2-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 2-[1-(o-tolyl)tetrazol-5-yl]sulfanyl-1-pyrrolidin-1-yl-propan-1-one CAS Name: 2-[[1-(2-methylphenyl)-5-tetrazolyl]thio]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 2-[[1-(o-tolyl)tetrazol-5-yl]thio]-1-pyrrolidino-propan-1-one Formula: C15H19N5OS MolecularWeight: 317.40926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=N2)SC(C)C(=O)N3CCCC3

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=N2)SC(C)C(=O)N3CCCC3

InChI

InChI=1S/C15H19N5OS/c1-11-7-3-4-8-13(11)20-15(16-17-18-20)22-12(2)14(21)19-9-5-6-10-19/h3-4,7-8,12H,5-6,9-10H2,1-2H3