4-[6-oxidanyl-2-sulfanylidene-5-thiophen-2-ylcarbonyl-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzenecarbonitrile

Systemtic Name: 4-[6-oxidanyl-2-sulfanylidene-5-thiophen-2-ylcarbonyl-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzenecarbonitrile Openeye Name: 4-[6-hydroxy-5-(thiophene-2-carbonyl)-2-thioxo-6-(trifluoromethyl)hexahydropyrimidin-4-yl]benzonitrile CAS Name: 4-[6-hydroxy-5-[oxo(thiophen-2-yl)methyl]-2-sulfanylidene-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzonitrile IUPAC Name: 4-[6-hydroxy-2-sulfanylidene-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzonitrile Traditional Name: 4-[6-hydroxy-5-(2-thenoyl)-2-thioxo-6-(trifluoromethyl)hexahydropyrimidin-4-yl]benzonitrile Formula: C17H12F3N3O2S2 MolecularWeight: 411.42129

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)C2C(NC(=S)NC2(C(F)(F)F)O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CSC(=C1)C(=O)C2C(NC(=S)NC2(C(F)(F)F)O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H12F3N3O2S2/c18-17(19,20)16(25)12(14(24)11-2-1-7-27-11)13(22-15(26)23-16)10-5-3-9(8-21)4-6-10/h1-7,12-13,25H,(H2,22,23,26)