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

Systemtic Name: N-[bis(azanyl)methylidene]-2-ethyl-5-nitro-4-[3-(trifluoromethyl)phenyl]sulfanyl-benzamide Openeye Name: N-(diaminomethylene)-2-ethyl-5-nitro-4-[3-(trifluoromethyl)phenyl]sulfanyl-benzamide CAS Name: N-(diaminomethylidene)-2-ethyl-5-nitro-4-[[3-(trifluoromethyl)phenyl]thio]benzamide IUPAC Name: N-(diaminomethylidene)-2-ethyl-5-nitro-4-[3-(trifluoromethyl)phenyl]sulfanylbenzamide Traditional Name: N-(diaminomethylene)-2-ethyl-5-nitro-4-[[3-(trifluoromethyl)phenyl]thio]benzamide Formula: C17H15F3N4O3S MolecularWeight: 412.38621

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1C(=O)N=C(N)N)[N+](=O)[O-])SC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CCC1=CC(=C(C=C1C(=O)N=C(N)N)[N+](=O)[O-])SC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C17H15F3N4O3S/c1-2-9-6-14(28-11-5-3-4-10(7-11)17(18,19)20)13(24(26)27)8-12(9)15(25)23-16(21)22/h3-8H,2H2,1H3,(H4,21,22,23,25)