3-(fluoranylmethyl)-7-isothiocyanato-1,2,3,4-tetrahydroisoquinoline

Systemtic Name: 3-(fluoranylmethyl)-7-isothiocyanato-1,2,3,4-tetrahydroisoquinoline Openeye Name: 3-(fluoromethyl)-7-isothiocyanato-1,2,3,4-tetrahydroisoquinoline CAS Name: 3-(fluoromethyl)-7-isothiocyanato-1,2,3,4-tetrahydroisoquinoline IUPAC Name: 3-(fluoromethyl)-7-isothiocyanato-1,2,3,4-tetrahydroisoquinoline Traditional Name: 3-(fluoromethyl)-7-isothiocyanato-1,2,3,4-tetrahydroisoquinoline Formula: C11H11FN2S MolecularWeight: 222.281843

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NCC2=C1C=CC(=C2)N=C=S)CF

Isomeric SMILES

C1C(NCC2=C1C=CC(=C2)N=C=S)CF

InChI

InChI=1S/C11H11FN2S/c12-5-11-3-8-1-2-10(14-7-15)4-9(8)6-13-11/h1-2,4,11,13H,3,5-6H2