3,5-bis[[[4-(trifluoromethyloxy)phenyl]amino]methylsulfanyl]-1,2-thiazole-4-carbonitrile

Systemtic Name: 3,5-bis[[[4-(trifluoromethyloxy)phenyl]amino]methylsulfanyl]-1,2-thiazole-4-carbonitrile Openeye Name: 3,5-bis[[4-(trifluoromethoxy)anilino]methylsulfanyl]isothiazole-4-carbonitrile CAS Name: 3,5-bis[[4-(trifluoromethoxy)anilino]methylthio]-4-isothiazolecarbonitrile IUPAC Name: 3,5-bis[[4-(trifluoromethoxy)anilino]methylsulfanyl]-1,2-thiazole-4-carbonitrile Traditional Name: 3,5-bis[[4-(trifluoromethoxy)anilino]methylthio]isothiazole-4-carbonitrile Formula: C20H14F6N4O2S3 MolecularWeight: 552.536179

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCSC2=C(C(=NS2)SCNC3=CC=C(C=C3)OC(F)(F)F)C#N)OC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1NCSC2=C(C(=NS2)SCNC3=CC=C(C=C3)OC(F)(F)F)C#N)OC(F)(F)F

InChI

InChI=1S/C20H14F6N4O2S3/c21-19(22,23)31-14-5-1-12(2-6-14)28-10-33-17-16(9-27)18(35-30-17)34-11-29-13-3-7-15(8-4-13)32-20(24,25)26/h1-8,28-29H,10-11H2