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

Systemtic Name: 3-[(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)sulfanyl]azepan-2-one Openeye Name: 3-(1-cyclopentyltetrazol-5-yl)sulfanylazepan-2-one CAS Name: 3-[(1-cyclopentyl-5-tetrazolyl)thio]-2-azepanone IUPAC Name: 3-(1-cyclopentyltetrazol-5-yl)sulfanylazepan-2-one Traditional Name: 3-[(1-cyclopentyltetrazol-5-yl)thio]azepan-2-one Formula: C12H19N5OS MolecularWeight: 281.37716

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=NN=N2)SC3CCCCNC3=O

Isomeric SMILES

C1CCC(C1)N2C(=NN=N2)SC3CCCCNC3=O

InChI

InChI=1S/C12H19N5OS/c18-11-10(7-3-4-8-13-11)19-12-14-15-16-17(12)9-5-1-2-6-9/h9-10H,1-8H2,(H,13,18)