N-(4-fluoranyl-3-nitro-phenyl)-4-[5-(phenylmethylsulfanyl)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]benzamide

Systemtic Name: N-(4-fluoranyl-3-nitro-phenyl)-4-[5-(phenylmethylsulfanyl)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]benzamide Openeye Name: 4-(5-benzylsulfanyl-2-thioxo-1,3,4-thiadiazol-3-yl)-N-(4-fluoro-3-nitro-phenyl)benzamide CAS Name: N-(4-fluoro-3-nitrophenyl)-4-[5-(phenylmethylthio)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]benzamide IUPAC Name: 4-(5-benzylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)-N-(4-fluoro-3-nitrophenyl)benzamide Traditional Name: 4-[5-(benzylthio)-2-thioxo-1,3,4-thiadiazol-3-yl]-N-(4-fluoro-3-nitro-phenyl)benzamide Formula: C22H15FN4O3S3 MolecularWeight: 498.572903

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN(C(=S)S2)C3=CC=C(C=C3)C(=O)NC4=CC(=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN(C(=S)S2)C3=CC=C(C=C3)C(=O)NC4=CC(=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C22H15FN4O3S3/c23-18-11-8-16(12-19(18)27(29)30)24-20(28)15-6-9-17(10-7-15)26-22(31)33-21(25-26)32-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,24,28)