1-(azepan-1-yl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-(1-phenyltetrazol-5-yl)sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[(1-phenyl-5-tetrazolyl)thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[(1-phenyltetrazol-5-yl)thio]ethanone Formula: C15H19N5OS MolecularWeight: 317.40926

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C15H19N5OS/c21-14(19-10-6-1-2-7-11-19)12-22-15-16-17-18-20(15)13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2