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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N5OS/c1-8-3-4-9(2)10(7-8)17-12(14-15-16-17)19-6-5-11(13)18/h3-4,7H,5-6H2,1-2H3,(H2,13,18)