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

Systemtic Name: 2-[[1-(2,5-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[1-(2,5-dimethylphenyl)-5-tetrazolyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[1-(2,5-dimethylphenyl)tetrazol-5-yl]thio]-1-pyrrolidino-ethanone Formula: C15H19N5OS MolecularWeight: 317.40926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=NN=N2)SCC(=O)N3CCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=NN=N2)SCC(=O)N3CCCC3

InChI

InChI=1S/C15H19N5OS/c1-11-5-6-12(2)13(9-11)20-15(16-17-18-20)22-10-14(21)19-7-3-4-8-19/h5-6,9H,3-4,7-8,10H2,1-2H3