6-azanyl-3-[(E)-(phenylmethylidene)amino]-2-sulfanylidene-5-(trifluoromethyl)-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-3-[(E)-(phenylmethylidene)amino]-2-sulfanylidene-5-(trifluoromethyl)-1H-pyrimidin-4-one Openeye Name: 6-amino-3-[(E)-benzylideneamino]-2-thioxo-5-(trifluoromethyl)-1H-pyrimidin-4-one CAS Name: 6-amino-3-[(E)-(phenylmethylene)amino]-2-sulfanylidene-5-(trifluoromethyl)-1H-pyrimidin-4-one IUPAC Name: 6-amino-3-[(E)-benzylideneamino]-2-sulfanylidene-5-(trifluoromethyl)-1H-pyrimidin-4-one Traditional Name: 6-amino-3-[(E)-benzalamino]-2-thioxo-5-(trifluoromethyl)-1H-pyrimidin-4-one Formula: C12H9F3N4OS MolecularWeight: 314.28627

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=NN2C(=O)C(=C(NC2=S)N)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)/C=N/N2C(=O)C(=C(NC2=S)N)C(F)(F)F

InChI

InChI=1S/C12H9F3N4OS/c13-12(14,15)8-9(16)18-11(21)19(10(8)20)17-6-7-4-2-1-3-5-7/h1-6H,16H2,(H,18,21)/b17-6+