3-methylsulfanyl-6-(3,4,5-trimethoxyphenyl)-1,2,4,5-tetrazine

Systemtic Name: 3-methylsulfanyl-6-(3,4,5-trimethoxyphenyl)-1,2,4,5-tetrazine Openeye Name: 3-methylsulfanyl-6-(3,4,5-trimethoxyphenyl)-1,2,4,5-tetrazine CAS Name: 3-(methylthio)-6-(3,4,5-trimethoxyphenyl)-1,2,4,5-tetrazine IUPAC Name: 3-methylsulfanyl-6-(3,4,5-trimethoxyphenyl)-1,2,4,5-tetrazine Traditional Name: 3-(methylthio)-6-(3,4,5-trimethoxyphenyl)-1,2,4,5-tetrazine Formula: C12H14N4O3S MolecularWeight: 294.32956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN=C(N=N2)SC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN=C(N=N2)SC

InChI

InChI=1S/C12H14N4O3S/c1-17-8-5-7(6-9(18-2)10(8)19-3)11-13-15-12(20-4)16-14-11/h5-6H,1-4H3