2-[(4-isothiocyanatophenoxy)methyl]-1-methyl-pyrrolidine

Systemtic Name: 2-[(4-isothiocyanatophenoxy)methyl]-1-methyl-pyrrolidine Openeye Name: 2-[(4-isothiocyanatophenoxy)methyl]-1-methyl-pyrrolidine CAS Name: 2-[(4-isothiocyanatophenoxy)methyl]-1-methylpyrrolidine IUPAC Name: 2-[(4-isothiocyanatophenoxy)methyl]-1-methylpyrrolidine Traditional Name: 2-[(4-isothiocyanatophenoxy)methyl]-1-methyl-pyrrolidine Formula: C13H16N2OS MolecularWeight: 248.34394

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1COC2=CC=C(C=C2)N=C=S

Isomeric SMILES

CN1CCCC1COC2=CC=C(C=C2)N=C=S

InChI

InChI=1S/C13H16N2OS/c1-15-8-2-3-12(15)9-16-13-6-4-11(5-7-13)14-10-17/h4-7,12H,2-3,8-9H2,1H3