1-fluoranyl-2-isothiocyanato-3-methyl-5-pentyl-benzene

Systemtic Name: 1-fluoranyl-2-isothiocyanato-3-methyl-5-pentyl-benzene Openeye Name: 1-fluoro-2-isothiocyanato-3-methyl-5-pentyl-benzene CAS Name: 1-fluoro-2-isothiocyanato-3-methyl-5-pentylbenzene IUPAC Name: 1-fluoro-2-isothiocyanato-3-methyl-5-pentylbenzene Traditional Name: 5-amyl-1-fluoro-2-isothiocyanato-3-methyl-benzene Formula: C13H16FNS MolecularWeight: 237.336243

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C(=C1)F)N=C=S)C

Isomeric SMILES

CCCCCC1=CC(=C(C(=C1)F)N=C=S)C

InChI

InChI=1S/C13H16FNS/c1-3-4-5-6-11-7-10(2)13(15-9-16)12(14)8-11/h7-8H,3-6H2,1-2H3