3-(3-methyl-6-sulfanylidene-1,2,4,5-tetrazinan-3-yl)propanoic acid

Systemtic Name: 3-(3-methyl-6-sulfanylidene-1,2,4,5-tetrazinan-3-yl)propanoic acid Openeye Name: 3-(3-methyl-6-thioxo-1,2,4,5-tetrazinan-3-yl)propanoic acid CAS Name: 3-(3-methyl-6-sulfanylidene-1,2,4,5-tetrazinan-3-yl)propanoic acid IUPAC Name: 3-(3-methyl-6-sulfanylidene-1,2,4,5-tetrazinan-3-yl)propanoic acid Traditional Name: 3-(3-methyl-6-thioxo-1,2,4,5-tetrazinan-3-yl)propionic acid Formula: C6H12N4O2S MolecularWeight: 204.25008

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Descriptors Computed from Structure

Canonical SMILES:

CC1(NNC(=S)NN1)CCC(=O)O

Isomeric SMILES

CC1(NNC(=S)NN1)CCC(=O)O

InChI

InChI=1S/C6H12N4O2S/c1-6(3-2-4(11)12)9-7-5(13)8-10-6/h9-10H,2-3H2,1H3,(H,11,12)(H2,7,8,13)