3-[4-[5-cyano-1-[(2,4-dimethylphenyl)methyl]-6-oxidanylidene-4-(trifluoromethyl)pyridin-2-yl]phenoxy]-N,N-dimethyl-benzenecarbothioamide

Systemtic Name: 3-[4-[5-cyano-1-[(2,4-dimethylphenyl)methyl]-6-oxidanylidene-4-(trifluoromethyl)pyridin-2-yl]phenoxy]-N,N-dimethyl-benzenecarbothioamide Openeye Name: 3-[4-[5-cyano-1-[(2,4-dimethylphenyl)methyl]-6-oxo-4-(trifluoromethyl)-2-pyridyl]phenoxy]-N,N-dimethyl-benzenecarbothioamide CAS Name: 3-[4-[5-cyano-1-[(2,4-dimethylphenyl)methyl]-6-oxo-4-(trifluoromethyl)-2-pyridinyl]phenoxy]-N,N-dimethylbenzenecarbothioamide IUPAC Name: 3-[4-[5-cyano-1-[(2,4-dimethylphenyl)methyl]-6-oxo-4-(trifluoromethyl)pyridin-2-yl]phenoxy]-N,N-dimethylbenzenecarbothioamide Traditional Name: 3-[4-[5-cyano-1-(2,4-dimethylbenzyl)-6-keto-4-(trifluoromethyl)-2-pyridyl]phenoxy]-N,N-dimethyl-thiobenzamide Formula: C31H26F3N3O2S MolecularWeight: 561.61725

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN2C(=CC(=C(C2=O)C#N)C(F)(F)F)C3=CC=C(C=C3)OC4=CC=CC(=C4)C(=S)N(C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)CN2C(=CC(=C(C2=O)C#N)C(F)(F)F)C3=CC=C(C=C3)OC4=CC=CC(=C4)C(=S)N(C)C)C

InChI

InChI=1S/C31H26F3N3O2S/c1-19-8-9-23(20(2)14-19)18-37-28(16-27(31(32,33)34)26(17-35)29(37)38)21-10-12-24(13-11-21)39-25-7-5-6-22(15-25)30(40)36(3)4/h5-16H,18H2,1-4H3