3-[[1-(4-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]pentane-2,4-dione

Systemtic Name: 3-[[1-(4-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]pentane-2,4-dione Openeye Name: 3-[1-(p-tolyl)tetrazol-5-yl]sulfanylpentane-2,4-dione CAS Name: 3-[[1-(4-methylphenyl)-5-tetrazolyl]thio]pentane-2,4-dione IUPAC Name: 3-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpentane-2,4-dione Traditional Name: 3-[[1-(p-tolyl)tetrazol-5-yl]thio]pentane-2,4-dione Formula: C13H14N4O2S MolecularWeight: 290.34086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O2S/c1-8-4-6-11(7-5-8)17-13(14-15-16-17)20-12(9(2)18)10(3)19/h4-7,12H,1-3H3