4-phenyl-2-(phenylmethylsulfanyl)-6-[3-(trifluoromethyl)phenyl]sulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-phenyl-2-(phenylmethylsulfanyl)-6-[3-(trifluoromethyl)phenyl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 2-benzylsulfanyl-4-phenyl-6-[3-(trifluoromethyl)phenyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-phenyl-2-(phenylmethylthio)-6-[[3-(trifluoromethyl)phenyl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 2-benzylsulfanyl-4-phenyl-6-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 2-(benzylthio)-4-phenyl-6-[[3-(trifluoromethyl)phenyl]thio]pyrimidine-5-carbonitrile Formula: C25H16F3N3S2 MolecularWeight: 479.53985

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=C(C(=N2)SC3=CC=CC(=C3)C(F)(F)F)C#N)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=C(C(=N2)SC3=CC=CC(=C3)C(F)(F)F)C#N)C4=CC=CC=C4

InChI

InChI=1S/C25H16F3N3S2/c26-25(27,28)19-12-7-13-20(14-19)33-23-21(15-29)22(18-10-5-2-6-11-18)30-24(31-23)32-16-17-8-3-1-4-9-17/h1-14H,16H2