1-(3-isothiocyanatopropyl)-4-(trifluoromethyl)indole

Systemtic Name: 1-(3-isothiocyanatopropyl)-4-(trifluoromethyl)indole Openeye Name: 1-(3-isothiocyanatopropyl)-4-(trifluoromethyl)indole CAS Name: 1-(3-isothiocyanatopropyl)-4-(trifluoromethyl)indole IUPAC Name: 1-(3-isothiocyanatopropyl)-4-(trifluoromethyl)indole Traditional Name: 1-(3-isothiocyanatopropyl)-4-(trifluoromethyl)indole Formula: C13H11F3N2S MolecularWeight: 284.30005

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=CN(C2=C1)CCCN=C=S)C(F)(F)F

Isomeric SMILES

C1=CC(=C2C=CN(C2=C1)CCCN=C=S)C(F)(F)F

InChI

InChI=1S/C13H11F3N2S/c14-13(15,16)11-3-1-4-12-10(11)5-8-18(12)7-2-6-17-9-19/h1,3-5,8H,2,6-7H2