5-azanylidene-6-[[1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]methylidene]-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Systemtic Name: 5-azanylidene-6-[[1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]methylidene]-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: 5-imino-6-[[1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]methylene]-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: 5-imino-6-[[1-[2-(4-methoxyphenoxy)ethyl]-3-indolyl]methylidene]-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: 5-imino-6-[[1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]methylidene]-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: 5-imino-6-[[1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]methylene]-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C24H18F3N5O3S MolecularWeight: 513.49163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCN2C=C(C3=CC=CC=C32)C=C4C(=N)N5C(=NC4=O)SC(=N5)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)OCCN2C=C(C3=CC=CC=C32)C=C4C(=N)N5C(=NC4=O)SC(=N5)C(F)(F)F

InChI

InChI=1S/C24H18F3N5O3S/c1-34-15-6-8-16(9-7-15)35-11-10-31-13-14(17-4-2-3-5-19(17)31)12-18-20(28)32-23(29-21(18)33)36-22(30-32)24(25,26)27/h2-9,12-13,28H,10-11H2,1H3