[(2S,3R)-2-(4-chlorophenyl)-1-prop-2-enyl-azetidin-3-yl] thiocyanate

Systemtic Name: [(2S,3R)-2-(4-chlorophenyl)-1-prop-2-enyl-azetidin-3-yl] thiocyanate Openeye Name: [(2S,3R)-1-allyl-2-(4-chlorophenyl)azetidin-3-yl] thiocyanate CAS Name: thiocyanic acid [(2S,3R)-2-(4-chlorophenyl)-1-prop-2-enyl-3-azetidinyl] ester IUPAC Name: [(2S,3R)-2-(4-chlorophenyl)-1-prop-2-enylazetidin-3-yl] thiocyanate Traditional Name: thiocyanic acid [(2S,3R)-1-allyl-2-(4-chlorophenyl)azetidin-3-yl] ester Formula: C13H13ClN2S MolecularWeight: 264.77372

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1CC(C1C2=CC=C(C=C2)Cl)SC#N

Isomeric SMILES

C=CCN1C[C@H]([C@@H]1C2=CC=C(C=C2)Cl)SC#N

InChI

InChI=1S/C13H13ClN2S/c1-2-7-16-8-12(17-9-15)13(16)10-3-5-11(14)6-4-10/h2-6,12-13H,1,7-8H2/t12-,13+/m1/s1