5-[2-(2,5-dimethylphenyl)sulfonylethylsulfanyl]-1-methyl-1,2,3,4-tetrazole

Systemtic Name: 5-[2-(2,5-dimethylphenyl)sulfonylethylsulfanyl]-1-methyl-1,2,3,4-tetrazole Openeye Name: 5-[2-(2,5-dimethylphenyl)sulfonylethylsulfanyl]-1-methyl-tetrazole CAS Name: 5-[2-(2,5-dimethylphenyl)sulfonylethylthio]-1-methyltetrazole IUPAC Name: 5-[2-(2,5-dimethylphenyl)sulfonylethylsulfanyl]-1-methyltetrazole Traditional Name: 5-[2-(2,5-dimethylphenyl)sulfonylethylthio]-1-methyl-tetrazole Formula: C12H16N4O2S2 MolecularWeight: 312.41104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)CCSC2=NN=NN2C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)CCSC2=NN=NN2C

InChI

InChI=1S/C12H16N4O2S2/c1-9-4-5-10(2)11(8-9)20(17,18)7-6-19-12-13-14-15-16(12)3/h4-5,8H,6-7H2,1-3H3