4-(cyano-fluoranyl-isothiocyanato-methyl)-2-(3,4-dimethoxyphenyl)-3-methyl-benzenecarbonitrile

Systemtic Name: 4-(cyano-fluoranyl-isothiocyanato-methyl)-2-(3,4-dimethoxyphenyl)-3-methyl-benzenecarbonitrile Openeye Name: 4-(cyano-fluoro-isothiocyanato-methyl)-2-(3,4-dimethoxyphenyl)-3-methyl-benzonitrile CAS Name: 4-(cyano-fluoro-isothiocyanatomethyl)-2-(3,4-dimethoxyphenyl)-3-methylbenzonitrile IUPAC Name: 4-(cyano-fluoro-isothiocyanatomethyl)-2-(3,4-dimethoxyphenyl)-3-methylbenzonitrile Traditional Name: 4-(cyano-fluoro-isothiocyanato-methyl)-2-(3,4-dimethoxyphenyl)-3-methyl-benzonitrile Formula: C19H14FN3O2S MolecularWeight: 367.396763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C2=CC(=C(C=C2)OC)OC)C#N)C(C#N)(N=C=S)F

Isomeric SMILES

CC1=C(C=CC(=C1C2=CC(=C(C=C2)OC)OC)C#N)C(C#N)(N=C=S)F

InChI

InChI=1S/C19H14FN3O2S/c1-12-15(19(20,10-22)23-11-26)6-4-14(9-21)18(12)13-5-7-16(24-2)17(8-13)25-3/h4-8H,1-3H3