N-[bis(azanyl)methylidene]-2-ethyl-5-methylsulfonyl-4-[3-(trifluoromethyl)phenyl]sulfanyl-benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-2-ethyl-5-methylsulfonyl-4-[3-(trifluoromethyl)phenyl]sulfanyl-benzamide Openeye Name: N-(diaminomethylene)-2-ethyl-5-methylsulfonyl-4-[3-(trifluoromethyl)phenyl]sulfanyl-benzamide CAS Name: N-(diaminomethylidene)-2-ethyl-5-methylsulfonyl-4-[[3-(trifluoromethyl)phenyl]thio]benzamide IUPAC Name: N-(diaminomethylidene)-2-ethyl-5-methylsulfonyl-4-[3-(trifluoromethyl)phenyl]sulfanylbenzamide Traditional Name: N-(diaminomethylene)-2-ethyl-5-mesyl-4-[[3-(trifluoromethyl)phenyl]thio]benzamide Formula: C18H18F3N3O3S2 MolecularWeight: 445.47903

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1C(=O)N=C(N)N)S(=O)(=O)C)SC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CCC1=CC(=C(C=C1C(=O)N=C(N)N)S(=O)(=O)C)SC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C18H18F3N3O3S2/c1-3-10-7-14(28-12-6-4-5-11(8-12)18(19,20)21)15(29(2,26)27)9-13(10)16(25)24-17(22)23/h4-9H,3H2,1-2H3,(H4,22,23,24,25)