4-[[5-(3-ethoxypropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[[5-(3-ethoxypropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3-fluoranyl-benzenecarbonitrile Openeye Name: 4-[[5-(3-ethoxypropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3-fluoro-benzonitrile CAS Name: 4-[[[5-(3-ethoxypropylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-3-fluorobenzonitrile IUPAC Name: 4-[[5-(3-ethoxypropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3-fluorobenzonitrile Traditional Name: 4-[[[5-(3-ethoxypropylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-3-fluoro-benzonitrile Formula: C15H17FN4OS2 MolecularWeight: 352.450083

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC1=NN=C(S1)SCC2=C(C=C(C=C2)C#N)F

Isomeric SMILES

CCOCCCNC1=NN=C(S1)SCC2=C(C=C(C=C2)C#N)F

InChI

InChI=1S/C15H17FN4OS2/c1-2-21-7-3-6-18-14-19-20-15(23-14)22-10-12-5-4-11(9-17)8-13(12)16/h4-5,8H,2-3,6-7,10H2,1H3,(H,18,19)