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

Systemtic Name: 1-(azocan-1-yl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanone Openeye Name: 1-(azocan-1-yl)-2-(1-phenyltetrazol-5-yl)sulfanyl-ethanone CAS Name: 1-(1-azocanyl)-2-[(1-phenyl-5-tetrazolyl)thio]ethanone IUPAC Name: 1-(azocan-1-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone Traditional Name: 1-(azocan-1-yl)-2-[(1-phenyltetrazol-5-yl)thio]ethanone Formula: C16H21N5OS MolecularWeight: 331.43584

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)CSC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

C1CCCN(CCC1)C(=O)CSC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C16H21N5OS/c22-15(20-11-7-2-1-3-8-12-20)13-23-16-17-18-19-21(16)14-9-5-4-6-10-14/h4-6,9-10H,1-3,7-8,11-13H2