1-(3-isothiocyanatopropyl)-5-(trifluoromethyl)indole

Systemtic Name: 1-(3-isothiocyanatopropyl)-5-(trifluoromethyl)indole Openeye Name: 1-(3-isothiocyanatopropyl)-5-(trifluoromethyl)indole CAS Name: 1-(3-isothiocyanatopropyl)-5-(trifluoromethyl)indole IUPAC Name: 1-(3-isothiocyanatopropyl)-5-(trifluoromethyl)indole Traditional Name: 1-(3-isothiocyanatopropyl)-5-(trifluoromethyl)indole Formula: C13H11F3N2S MolecularWeight: 284.30005

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN2CCCN=C=S)C=C1C(F)(F)F

Isomeric SMILES

C1=CC2=C(C=CN2CCCN=C=S)C=C1C(F)(F)F

InChI

InChI=1S/C13H11F3N2S/c14-13(15,16)11-2-3-12-10(8-11)4-7-18(12)6-1-5-17-9-19/h2-4,7-8H,1,5-6H2