N-(2-cyano-3-methyl-butan-2-yl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanamide

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanamide Openeye Name: N-(1-cyano-1,2-dimethyl-propyl)-2-(1-phenyltetrazol-5-yl)sulfanyl-propanamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-[(1-phenyl-5-tetrazolyl)thio]propanamide IUPAC Name: N-(2-cyano-3-methylbutan-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide Traditional Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[(1-phenyltetrazol-5-yl)thio]propionamide Formula: C16H20N6OS MolecularWeight: 344.4346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)SC1=NN=NN1C2=CC=CC=C2

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)C(C)SC1=NN=NN1C2=CC=CC=C2

InChI

InChI=1S/C16H20N6OS/c1-11(2)16(4,10-17)18-14(23)12(3)24-15-19-20-21-22(15)13-8-6-5-7-9-13/h5-9,11-12H,1-4H3,(H,18,23)