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

Systemtic Name: N-[bis(azanyl)methylidene]-2-methyl-5-nitro-4-[4-(trifluoromethyl)phenyl]sulfanyl-benzamide Openeye Name: N-(diaminomethylene)-2-methyl-5-nitro-4-[4-(trifluoromethyl)phenyl]sulfanyl-benzamide CAS Name: N-(diaminomethylidene)-2-methyl-5-nitro-4-[[4-(trifluoromethyl)phenyl]thio]benzamide IUPAC Name: N-(diaminomethylidene)-2-methyl-5-nitro-4-[4-(trifluoromethyl)phenyl]sulfanylbenzamide Traditional Name: N-(diaminomethylene)-2-methyl-5-nitro-4-[[4-(trifluoromethyl)phenyl]thio]benzamide Formula: C16H13F3N4O3S MolecularWeight: 398.35963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)N=C(N)N)[N+](=O)[O-])SC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)N=C(N)N)[N+](=O)[O-])SC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C16H13F3N4O3S/c1-8-6-13(27-10-4-2-9(3-5-10)16(17,18)19)12(23(25)26)7-11(8)14(24)22-15(20)21/h2-7H,1H3,(H4,20,21,22,24)