2-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-(3-fluoranyl-4-methoxy-phenyl)ethanone

Systemtic Name: 2-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-(3-fluoranyl-4-methoxy-phenyl)ethanone Openeye Name: 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(3-fluoro-4-methoxy-phenyl)ethanone CAS Name: 2-[(1-cyclohexyl-5-tetrazolyl)thio]-1-(3-fluoro-4-methoxyphenyl)ethanone IUPAC Name: 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanone Traditional Name: 2-[(1-cyclohexyltetrazol-5-yl)thio]-1-(3-fluoro-4-methoxy-phenyl)ethanone Formula: C16H19FN4O2S MolecularWeight: 350.411063

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NN=NN2C3CCCCC3)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NN=NN2C3CCCCC3)F

InChI

InChI=1S/C16H19FN4O2S/c1-23-15-8-7-11(9-13(15)17)14(22)10-24-16-18-19-20-21(16)12-5-3-2-4-6-12/h7-9,12H,2-6,10H2,1H3