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

Systemtic Name: 3-[(1-ethyl-1,2,3,4-tetrazol-5-yl)sulfanyl]azepan-2-one Openeye Name: 3-(1-ethyltetrazol-5-yl)sulfanylazepan-2-one CAS Name: 3-[(1-ethyl-5-tetrazolyl)thio]-2-azepanone IUPAC Name: 3-(1-ethyltetrazol-5-yl)sulfanylazepan-2-one Traditional Name: 3-[(1-ethyltetrazol-5-yl)thio]azepan-2-one Formula: C9H15N5OS MolecularWeight: 241.3133

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=N1)SC2CCCCNC2=O

Isomeric SMILES

CCN1C(=NN=N1)SC2CCCCNC2=O

InChI

InChI=1S/C9H15N5OS/c1-2-14-9(11-12-13-14)16-7-5-3-4-6-10-8(7)15/h7H,2-6H2,1H3,(H,10,15)