3-nitro-N-[5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 3-nitro-N-[5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 3-nitro-N-[5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 3-nitro-N-[5-[[3-(trifluoromethyl)phenyl]methylthio]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 3-nitro-N-[5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 3-nitro-N-[5-[[3-(trifluoromethyl)benzyl]thio]-1,3,4-thiadiazol-2-yl]benzamide Formula: C17H11F3N4O3S2 MolecularWeight: 440.41945

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)CSC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)CSC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H11F3N4O3S2/c18-17(19,20)12-5-1-3-10(7-12)9-28-16-23-22-15(29-16)21-14(25)11-4-2-6-13(8-11)24(26)27/h1-8H,9H2,(H,21,22,25)