1-(3-chloranyl-1-phenyl-butyl)-4-ethyl-1,2,3,4-tetrazol-5-one

Systemtic Name: 1-(3-chloranyl-1-phenyl-butyl)-4-ethyl-1,2,3,4-tetrazol-5-one Openeye Name: 1-(3-chloro-1-phenyl-butyl)-4-ethyl-tetrazol-5-one CAS Name: 1-(3-chloro-1-phenylbutyl)-4-ethyl-5-tetrazolone IUPAC Name: 1-(3-chloro-1-phenylbutyl)-4-ethyltetrazol-5-one Traditional Name: 1-(3-chloro-1-phenyl-butyl)-4-ethyl-tetrazol-5-one Formula: C13H17ClN4O MolecularWeight: 280.75328

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)N(N=N1)C(CC(C)Cl)C2=CC=CC=C2

Isomeric SMILES

CCN1C(=O)N(N=N1)C(CC(C)Cl)C2=CC=CC=C2

InChI

InChI=1S/C13H17ClN4O/c1-3-17-13(19)18(16-15-17)12(9-10(2)14)11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3