5-(3-methoxy-2-pyridin-4-yl-phenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-(3-methoxy-2-pyridin-4-yl-phenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine Openeye Name: 5-[3-methoxy-2-(4-pyridyl)phenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine CAS Name: 5-(3-methoxy-2-pyridin-4-ylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine IUPAC Name: 5-(3-methoxy-2-pyridin-4-ylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine Traditional Name: [5-[3-methoxy-2-(4-pyridyl)phenyl]-1,3,4-thiadiazol-2-yl]-[3-(trifluoromethyl)phenyl]amine Formula: C21H15F3N4OS MolecularWeight: 428.43021

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1C2=CC=NC=C2)C3=NN=C(S3)NC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

COC1=CC=CC(=C1C2=CC=NC=C2)C3=NN=C(S3)NC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C21H15F3N4OS/c1-29-17-7-3-6-16(18(17)13-8-10-25-11-9-13)19-27-28-20(30-19)26-15-5-2-4-14(12-15)21(22,23)24/h2-12H,1H3,(H,26,28)