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

Systemtic Name: 1-(azocan-1-yl)-2-[[1-(3-chlorophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanone Openeye Name: 1-(azocan-1-yl)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-ethanone CAS Name: 1-(1-azocanyl)-2-[[1-(3-chlorophenyl)-5-tetrazolyl]thio]ethanone IUPAC Name: 1-(azocan-1-yl)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylethanone Traditional Name: 1-(azocan-1-yl)-2-[[1-(3-chlorophenyl)tetrazol-5-yl]thio]ethanone Formula: C16H20ClN5OS MolecularWeight: 365.8809

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClN5OS/c17-13-7-6-8-14(11-13)22-16(18-19-20-22)24-12-15(23)21-9-4-2-1-3-5-10-21/h6-8,11H,1-5,9-10,12H2