2-[[5-[(4-fluorophenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[[5-[(4-fluorophenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-nitro-benzonitrile CAS Name: 2-[[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]thio]-5-nitrobenzonitrile IUPAC Name: 2-[[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-nitrobenzonitrile Traditional Name: 2-[[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]thio]-5-nitro-benzonitrile Formula: C15H8FN5O2S2 MolecularWeight: 373.384723

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NN=C(S2)SC3=C(C=C(C=C3)[N+](=O)[O-])C#N)F

Isomeric SMILES

C1=CC(=CC=C1NC2=NN=C(S2)SC3=C(C=C(C=C3)[N+](=O)[O-])C#N)F

InChI

InChI=1S/C15H8FN5O2S2/c16-10-1-3-11(4-2-10)18-14-19-20-15(25-14)24-13-6-5-12(21(22)23)7-9(13)8-17/h1-7H,(H,18,19)