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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N5OS/c1-10-6-7-12(11(2)9-10)20-15(17-18-19-20)22-13-5-3-4-8-16-14(13)21/h6-7,9,13H,3-5,8H2,1-2H3,(H,16,21)