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

Systemtic Name: 2-[[1-(2,6-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]propanamide Openeye Name: 2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide CAS Name: 2-[[1-(2,6-dimethylphenyl)-5-tetrazolyl]thio]propanamide IUPAC Name: 2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide Traditional Name: 2-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]thio]propionamide Formula: C12H15N5OS MolecularWeight: 277.3454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N5OS/c1-7-5-4-6-8(2)10(7)17-12(14-15-16-17)19-9(3)11(13)18/h4-6,9H,1-3H3,(H2,13,18)