1-[[1-(4-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]propan-2-one

Systemtic Name: 1-[[1-(4-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]propan-2-one Openeye Name: 1-[1-(p-tolyl)tetrazol-5-yl]sulfanylpropan-2-one CAS Name: 1-[[1-(4-methylphenyl)-5-tetrazolyl]thio]-2-propanone IUPAC Name: 1-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropan-2-one Traditional Name: 1-[[1-(p-tolyl)tetrazol-5-yl]thio]acetone Formula: C11H12N4OS MolecularWeight: 248.30418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N4OS/c1-8-3-5-10(6-4-8)15-11(12-13-14-15)17-7-9(2)16/h3-6H,7H2,1-2H3