N-tert-butyl-2-[[1-(2,6-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]propanamide

Systemtic Name: N-tert-butyl-2-[[1-(2,6-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]propanamide Openeye Name: N-tert-butyl-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-propanamide CAS Name: N-tert-butyl-2-[[1-(2,6-dimethylphenyl)-5-tetrazolyl]thio]propanamide IUPAC Name: N-tert-butyl-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide Traditional Name: N-tert-butyl-2-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]thio]propionamide Formula: C16H23N5OS MolecularWeight: 333.45172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=NN=N2)SC(C)C(=O)NC(C)(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=NN=N2)SC(C)C(=O)NC(C)(C)C

InChI

InChI=1S/C16H23N5OS/c1-10-8-7-9-11(2)13(10)21-15(18-19-20-21)23-12(3)14(22)17-16(4,5)6/h7-9,12H,1-6H3,(H,17,22)