1-isothiocyanato-2-phenyl-cycloheptane

Systemtic Name: 1-isothiocyanato-2-phenyl-cycloheptane Openeye Name: 1-isothiocyanato-2-phenyl-cycloheptane CAS Name: 1-isothiocyanato-2-phenylcycloheptane IUPAC Name: 1-isothiocyanato-2-phenylcycloheptane Traditional Name: 1-isothiocyanato-2-phenyl-cycloheptane Formula: C14H17NS MolecularWeight: 231.35648

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(CC1)N=C=S)C2=CC=CC=C2

Isomeric SMILES

C1CCC(C(CC1)N=C=S)C2=CC=CC=C2

InChI

InChI=1S/C14H17NS/c16-11-15-14-10-6-2-5-9-13(14)12-7-3-1-4-8-12/h1,3-4,7-8,13-14H,2,5-6,9-10H2