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

Systemtic Name: 3-(4-methylheptan-4-yl)-6-methylsulfanyl-1,2,4,5-tetrazine Openeye Name: 3-(1-methyl-1-propyl-butyl)-6-methylsulfanyl-1,2,4,5-tetrazine CAS Name: 3-(4-methylheptan-4-yl)-6-(methylthio)-1,2,4,5-tetrazine IUPAC Name: 3-(4-methylheptan-4-yl)-6-methylsulfanyl-1,2,4,5-tetrazine Traditional Name: 3-(1-methyl-1-propyl-butyl)-6-(methylthio)-1,2,4,5-tetrazine Formula: C11H20N4S MolecularWeight: 240.3683

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(CCC)C1=NN=C(N=N1)SC

Isomeric SMILES

CCCC(C)(CCC)C1=NN=C(N=N1)SC

InChI

InChI=1S/C11H20N4S/c1-5-7-11(3,8-6-2)9-12-14-10(16-4)15-13-9/h5-8H2,1-4H3