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

Systemtic Name: 3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]azepan-2-one Openeye Name: 3-(1-methyltetrazol-5-yl)sulfanylazepan-2-one CAS Name: 3-[(1-methyl-5-tetrazolyl)thio]-2-azepanone IUPAC Name: 3-(1-methyltetrazol-5-yl)sulfanylazepan-2-one Traditional Name: 3-[(1-methyltetrazol-5-yl)thio]azepan-2-one Formula: C8H13N5OS MolecularWeight: 227.28672

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SC2CCCCNC2=O

Isomeric SMILES

CN1C(=NN=N1)SC2CCCCNC2=O

InChI

InChI=1S/C8H13N5OS/c1-13-8(10-11-12-13)15-6-4-2-3-5-9-7(6)14/h6H,2-5H2,1H3,(H,9,14)