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

Systemtic Name: N-[5-(2-cyano-4-nitro-phenyl)sulfanyl-1,3,4-thiadiazol-2-yl]-3-(trifluoromethyl)benzamide Openeye Name: N-[5-(2-cyano-4-nitro-phenyl)sulfanyl-1,3,4-thiadiazol-2-yl]-3-(trifluoromethyl)benzamide CAS Name: N-[5-[(2-cyano-4-nitrophenyl)thio]-1,3,4-thiadiazol-2-yl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[5-(2-cyano-4-nitrophenyl)sulfanyl-1,3,4-thiadiazol-2-yl]-3-(trifluoromethyl)benzamide Traditional Name: N-[5-[(2-cyano-4-nitro-phenyl)thio]-1,3,4-thiadiazol-2-yl]-3-(trifluoromethyl)benzamide Formula: C17H8F3N5O3S2 MolecularWeight: 451.40233

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)C(=O)NC2=NN=C(S2)SC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)C(=O)NC2=NN=C(S2)SC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C17H8F3N5O3S2/c18-17(19,20)11-3-1-2-9(6-11)14(26)22-15-23-24-16(30-15)29-13-5-4-12(25(27)28)7-10(13)8-21/h1-7H,(H,22,23,26)