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

Systemtic Name: N-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-nitro-benzamide Openeye Name: N-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-nitro-benzamide CAS Name: N-[5-[(3-fluorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-2-nitrobenzamide IUPAC Name: N-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-nitrobenzamide Traditional Name: N-[5-[(3-fluorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-2-nitro-benzamide Formula: C16H11FN4O3S2 MolecularWeight: 390.411943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11FN4O3S2/c17-11-5-3-4-10(8-11)9-25-16-20-19-15(26-16)18-14(22)12-6-1-2-7-13(12)21(23)24/h1-8H,9H2,(H,18,19,22)