S-[4-iodanyl-3-(pyrrolidin-1-yldiazenyl)phenyl] N,N-diethylcarbamothioate

Systemtic Name: S-[4-iodanyl-3-(pyrrolidin-1-yldiazenyl)phenyl] N,N-diethylcarbamothioate Openeye Name: S-(4-iodo-3-pyrrolidin-1-ylazo-phenyl) N,N-diethylcarbamothioate CAS Name: N,N-diethylcarbamothioic acid S-[4-iodo-3-(1-pyrrolidinylazo)phenyl] ester IUPAC Name: S-[4-iodo-3-(pyrrolidin-1-yldiazenyl)phenyl] N,N-diethylcarbamothioate Traditional Name: N,N-diethylthiocarbamic acid S-(4-iodo-3-pyrrolidinoazo-phenyl) ester Formula: C15H21IN4OS MolecularWeight: 432.32291

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)SC1=CC(=C(C=C1)I)N=NN2CCCC2

Isomeric SMILES

CCN(CC)C(=O)SC1=CC(=C(C=C1)I)N=NN2CCCC2

InChI

InChI=1S/C15H21IN4OS/c1-3-19(4-2)15(21)22-12-7-8-13(16)14(11-12)17-18-20-9-5-6-10-20/h7-8,11H,3-6,9-10H2,1-2H3