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

Systemtic Name: 4-methyl-3-nitro-N-[5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-methyl-3-nitro-N-[5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-methyl-3-nitro-N-[5-[[3-(trifluoromethyl)phenyl]methylthio]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-methyl-3-nitro-N-[5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-methyl-3-nitro-N-[5-[[3-(trifluoromethyl)benzyl]thio]-1,3,4-thiadiazol-2-yl]benzamide Formula: C18H13F3N4O3S2 MolecularWeight: 454.44603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC(=CC=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC(=CC=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H13F3N4O3S2/c1-10-5-6-12(8-14(10)25(27)28)15(26)22-16-23-24-17(30-16)29-9-11-3-2-4-13(7-11)18(19,20)21/h2-8H,9H2,1H3,(H,22,23,26)