4-azanyl-2-[2-oxidanylidene-2-[2-(trifluoromethyl)phenothiazin-10-yl]ethyl]sulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[2-oxidanylidene-2-[2-(trifluoromethyl)phenothiazin-10-yl]ethyl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[2-oxo-2-[2-(trifluoromethyl)phenothiazin-10-yl]ethyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[2-oxo-2-[2-(trifluoromethyl)-10-phenothiazinyl]ethyl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[2-oxo-2-[2-(trifluoromethyl)phenothiazin-10-yl]ethyl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[2-keto-2-[2-(trifluoromethyl)phenothiazin-10-yl]ethyl]thio]pyrimidine-5-carbonitrile Formula: C20H12F3N5OS2 MolecularWeight: 459.46739

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)C(F)(F)F)C(=O)CSC4=NC=C(C(=N4)N)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)C(F)(F)F)C(=O)CSC4=NC=C(C(=N4)N)C#N

InChI

InChI=1S/C20H12F3N5OS2/c21-20(22,23)12-5-6-16-14(7-12)28(13-3-1-2-4-15(13)31-16)17(29)10-30-19-26-9-11(8-24)18(25)27-19/h1-7,9H,10H2,(H2,25,26,27)