3,5,5-trimethyl-N-[3-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)phenyl]hexanamide

Systemtic Name: 3,5,5-trimethyl-N-[3-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)phenyl]hexanamide Openeye Name: 3,5,5-trimethyl-N-[3-(5-thioxo-2H-tetrazol-1-yl)phenyl]hexanamide CAS Name: 3,5,5-trimethyl-N-[3-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]hexanamide IUPAC Name: 3,5,5-trimethyl-N-[3-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]hexanamide Traditional Name: 3,5,5-trimethyl-N-[3-(5-thioxo-2H-tetrazol-1-yl)phenyl]hexanamide Formula: C16H23N5OS MolecularWeight: 333.45172

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=CC=CC(=C1)N2C(=S)N=NN2)CC(C)(C)C

Isomeric SMILES

CC(CC(=O)NC1=CC=CC(=C1)N2C(=S)N=NN2)CC(C)(C)C

InChI

InChI=1S/C16H23N5OS/c1-11(10-16(2,3)4)8-14(22)17-12-6-5-7-13(9-12)21-15(23)18-19-20-21/h5-7,9,11H,8,10H2,1-4H3,(H,17,22)(H,18,20,23)