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

Systemtic Name: 1-(azepan-1-yl)-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propan-1-one Openeye Name: 1-(azepan-1-yl)-3-(1-methyltetrazol-5-yl)sulfanyl-propan-1-one CAS Name: 1-(1-azepanyl)-3-[(1-methyl-5-tetrazolyl)thio]-1-propanone IUPAC Name: 1-(azepan-1-yl)-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-one Traditional Name: 1-(azepan-1-yl)-3-[(1-methyltetrazol-5-yl)thio]propan-1-one Formula: C11H19N5OS MolecularWeight: 269.36646

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCCC(=O)N2CCCCCC2

Isomeric SMILES

CN1C(=NN=N1)SCCC(=O)N2CCCCCC2

InChI

InChI=1S/C11H19N5OS/c1-15-11(12-13-14-15)18-9-6-10(17)16-7-4-2-3-5-8-16/h2-9H2,1H3