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

Systemtic Name: 3-methylsulfanyl-6-(4-propylphenyl)-1,2,4,5-tetrazine Openeye Name: 3-methylsulfanyl-6-(4-propylphenyl)-1,2,4,5-tetrazine CAS Name: 3-(methylthio)-6-(4-propylphenyl)-1,2,4,5-tetrazine IUPAC Name: 3-methylsulfanyl-6-(4-propylphenyl)-1,2,4,5-tetrazine Traditional Name: 3-(methylthio)-6-(4-propylphenyl)-1,2,4,5-tetrazine Formula: C12H14N4S MolecularWeight: 246.33136

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=NN=C(N=N2)SC

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=NN=C(N=N2)SC

InChI

InChI=1S/C12H14N4S/c1-3-4-9-5-7-10(8-6-9)11-13-15-12(17-2)16-14-11/h5-8H,3-4H2,1-2H3