2-sulfanylidene-7-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidin-4-one hydrate

Systemtic Name: 2-sulfanylidene-7-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidin-4-one hydrate Openeye Name: 7-(2-thienyl)-2-thioxo-5-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidin-4-one hydrate CAS Name: 2-sulfanylidene-7-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidin-4-one hydrate IUPAC Name: 2-sulfanylidene-7-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidin-4-one hydrate Traditional Name: 7-(2-thienyl)-2-thioxo-5-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidin-4-one hydrate Formula: C12H8F3N3O2S2 MolecularWeight: 347.33603

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NC3=C(C(=C2)C(F)(F)F)C(=O)NC(=S)N3.O

Isomeric SMILES

C1=CSC(=C1)C2=NC3=C(C(=C2)C(F)(F)F)C(=O)NC(=S)N3.O

InChI

InChI=1S/C12H6F3N3OS2.H2O/c13-12(14,15)5-4-6(7-2-1-3-21-7)16-9-8(5)10(19)18-11(20)17-9;/h1-4H,(H2,16,17,18,19,20);1H2