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

Systemtic Name: 1-[[1-(2-methoxy-5-methyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]propan-2-one Openeye Name: 1-[1-(2-methoxy-5-methyl-phenyl)tetrazol-5-yl]sulfanylpropan-2-one CAS Name: 1-[[1-(2-methoxy-5-methylphenyl)-5-tetrazolyl]thio]-2-propanone IUPAC Name: 1-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropan-2-one Traditional Name: 1-[[1-(2-methoxy-5-methyl-phenyl)tetrazol-5-yl]thio]acetone Formula: C12H14N4O2S MolecularWeight: 278.33016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N4O2S/c1-8-4-5-11(18-3)10(6-8)16-12(13-14-15-16)19-7-9(2)17/h4-6H,7H2,1-3H3