6-(4-methoxyphenyl)-2-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 6-(4-methoxyphenyl)-2-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-(4-methoxyphenyl)-2-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-(4-methoxyphenyl)-2-[[2-oxo-2-(10-phenothiazinyl)ethyl]thio]-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-(4-methoxyphenyl)-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[(2-keto-2-phenothiazin-10-yl-ethyl)thio]-6-(4-methoxyphenyl)-4-(trifluoromethyl)nicotinonitrile Formula: C28H18F3N3O2S2 MolecularWeight: 549.58663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C28H18F3N3O2S2/c1-36-18-12-10-17(11-13-18)21-14-20(28(29,30)31)19(15-32)27(33-21)37-16-26(35)34-22-6-2-4-8-24(22)38-25-9-5-3-7-23(25)34/h2-14H,16H2,1H3