5-[(4-isothiocyanatophenoxy)methyl]-2,3-dihydro-1H-pyrrole

Systemtic Name: 5-[(4-isothiocyanatophenoxy)methyl]-2,3-dihydro-1H-pyrrole Openeye Name: 5-[(4-isothiocyanatophenoxy)methyl]-2,3-dihydro-1H-pyrrole CAS Name: 5-[(4-isothiocyanatophenoxy)methyl]-2,3-dihydro-1H-pyrrole IUPAC Name: 5-[(4-isothiocyanatophenoxy)methyl]-2,3-dihydro-1H-pyrrole Traditional Name: 2-[(4-isothiocyanatophenoxy)methyl]-2-pyrroline Formula: C12H12N2OS MolecularWeight: 232.30148

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=C1)COC2=CC=C(C=C2)N=C=S

Isomeric SMILES

C1CNC(=C1)COC2=CC=C(C=C2)N=C=S

InChI

InChI=1S/C12H12N2OS/c16-9-14-10-3-5-12(6-4-10)15-8-11-2-1-7-13-11/h2-6,13H,1,7-8H2