2-(phenylmethylsulfanyl)-4-pyridin-3-yl-6-[[4-(trifluoromethyloxy)phenyl]amino]pyrimidine-5-carbonitrile

Systemtic Name: 2-(phenylmethylsulfanyl)-4-pyridin-3-yl-6-[[4-(trifluoromethyloxy)phenyl]amino]pyrimidine-5-carbonitrile Openeye Name: 2-benzylsulfanyl-4-(3-pyridyl)-6-[4-(trifluoromethoxy)anilino]pyrimidine-5-carbonitrile CAS Name: 2-(phenylmethylthio)-4-(3-pyridinyl)-6-[4-(trifluoromethoxy)anilino]-5-pyrimidinecarbonitrile IUPAC Name: 2-benzylsulfanyl-4-pyridin-3-yl-6-[4-(trifluoromethoxy)anilino]pyrimidine-5-carbonitrile Traditional Name: 2-(benzylthio)-4-(3-pyridyl)-6-[4-(trifluoromethoxy)anilino]pyrimidine-5-carbonitrile Formula: C24H16F3N5OS MolecularWeight: 479.47695

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=C(C(=N2)NC3=CC=C(C=C3)OC(F)(F)F)C#N)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=C(C(=N2)NC3=CC=C(C=C3)OC(F)(F)F)C#N)C4=CN=CC=C4

InChI

InChI=1S/C24H16F3N5OS/c25-24(26,27)33-19-10-8-18(9-11-19)30-22-20(13-28)21(17-7-4-12-29-14-17)31-23(32-22)34-15-16-5-2-1-3-6-16/h1-12,14H,15H2,(H,30,31,32)