3-[[1-(2,6-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]azepan-2-one

Systemtic Name: 3-[[1-(2,6-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]azepan-2-one Openeye Name: 3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylazepan-2-one CAS Name: 3-[[1-(2,6-dimethylphenyl)-5-tetrazolyl]thio]-2-azepanone IUPAC Name: 3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylazepan-2-one Traditional Name: 3-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]thio]azepan-2-one Formula: C15H19N5OS MolecularWeight: 317.40926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=NN=N2)SC3CCCCNC3=O

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=NN=N2)SC3CCCCNC3=O

InChI

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