N-[bis(azanyl)methylidene]-4-ethyl-5-methylsulfonyl-2-(trifluoromethyl)benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-4-ethyl-5-methylsulfonyl-2-(trifluoromethyl)benzamide Openeye Name: N-(diaminomethylene)-4-ethyl-5-methylsulfonyl-2-(trifluoromethyl)benzamide CAS Name: N-(diaminomethylidene)-4-ethyl-5-methylsulfonyl-2-(trifluoromethyl)benzamide IUPAC Name: N-(diaminomethylidene)-4-ethyl-5-methylsulfonyl-2-(trifluoromethyl)benzamide Traditional Name: N-(diaminomethylene)-4-ethyl-5-mesyl-2-(trifluoromethyl)benzamide Formula: C12H14F3N3O3S MolecularWeight: 337.31807

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C(F)(F)F)C(=O)N=C(N)N)S(=O)(=O)C

Isomeric SMILES

CCC1=C(C=C(C(=C1)C(F)(F)F)C(=O)N=C(N)N)S(=O)(=O)C

InChI

InChI=1S/C12H14F3N3O3S/c1-3-6-4-8(12(13,14)15)7(10(19)18-11(16)17)5-9(6)22(2,20)21/h4-5H,3H2,1-2H3,(H4,16,17,18,19)