5-[(E)-4-iodanyl-3-methyl-but-3-enyl]sulfonyl-1-phenyl-1,2,3,4-tetrazole

Systemtic Name: 5-[(E)-4-iodanyl-3-methyl-but-3-enyl]sulfonyl-1-phenyl-1,2,3,4-tetrazole Openeye Name: 5-[(E)-4-iodo-3-methyl-but-3-enyl]sulfonyl-1-phenyl-tetrazole CAS Name: 5-[(E)-4-iodo-3-methylbut-3-enyl]sulfonyl-1-phenyltetrazole IUPAC Name: 5-[(E)-4-iodo-3-methylbut-3-enyl]sulfonyl-1-phenyltetrazole Traditional Name: 5-[(E)-4-iodo-3-methyl-but-3-enyl]sulfonyl-1-phenyl-tetrazole Formula: C12H13IN4O2S MolecularWeight: 404.22669

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CI)CCS(=O)(=O)C1=NN=NN1C2=CC=CC=C2

Isomeric SMILES

C/C(=C\I)/CCS(=O)(=O)C1=NN=NN1C2=CC=CC=C2

InChI

InChI=1S/C12H13IN4O2S/c1-10(9-13)7-8-20(18,19)12-14-15-16-17(12)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3/b10-9+