6-(3-fluoranyl-4-isothiocyanato-5-methyl-phenyl)-2-(4-methylcyclohexyl)spiro[3.3]heptane

Systemtic Name: 6-(3-fluoranyl-4-isothiocyanato-5-methyl-phenyl)-2-(4-methylcyclohexyl)spiro[3.3]heptane Openeye Name: 6-(3-fluoro-4-isothiocyanato-5-methyl-phenyl)-2-(4-methylcyclohexyl)spiro[3.3]heptane CAS Name: 6-(3-fluoro-4-isothiocyanato-5-methylphenyl)-2-(4-methylcyclohexyl)spiro[3.3]heptane IUPAC Name: 6-(3-fluoro-4-isothiocyanato-5-methylphenyl)-2-(4-methylcyclohexyl)spiro[3.3]heptane Traditional Name: 6-(3-fluoro-4-isothiocyanato-5-methyl-phenyl)-2-(4-methylcyclohexyl)spiro[3.3]heptane Formula: C22H28FNS MolecularWeight: 357.527823

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C2CC3(C2)CC(C3)C4=CC(=C(C(=C4)F)N=C=S)C

Isomeric SMILES

CC1CCC(CC1)C2CC3(C2)CC(C3)C4=CC(=C(C(=C4)F)N=C=S)C

InChI

InChI=1S/C22H28FNS/c1-14-3-5-16(6-4-14)18-9-22(10-18)11-19(12-22)17-7-15(2)21(24-13-25)20(23)8-17/h7-8,14,16,18-19H,3-6,9-12H2,1-2H3