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

Systemtic Name: 3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]pentane-2,4-dione Openeye Name: 3-(1-phenyltetrazol-5-yl)sulfanylpentane-2,4-dione CAS Name: 3-[(1-phenyl-5-tetrazolyl)thio]pentane-2,4-dione IUPAC Name: 3-(1-phenyltetrazol-5-yl)sulfanylpentane-2,4-dione Traditional Name: 3-[(1-phenyltetrazol-5-yl)thio]pentane-2,4-dione Formula: C12H12N4O2S MolecularWeight: 276.31428

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)C)SC1=NN=NN1C2=CC=CC=C2

Isomeric SMILES

CC(=O)C(C(=O)C)SC1=NN=NN1C2=CC=CC=C2

InChI

InChI=1S/C12H12N4O2S/c1-8(17)11(9(2)18)19-12-13-14-15-16(12)10-6-4-3-5-7-10/h3-7,11H,1-2H3