2-[[5-[(4-fluorophenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]pentanedinitrile

Systemtic Name: 2-[[5-[(4-fluorophenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]pentanedinitrile Openeye Name: 2-[[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]pentanedinitrile CAS Name: 2-[[[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]pentanedinitrile IUPAC Name: 2-[[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]pentanedinitrile Traditional Name: 2-[[[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]glutaronitrile Formula: C14H12FN5S2 MolecularWeight: 333.406983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NN=C(S2)SCC(CCC#N)C#N)F

Isomeric SMILES

C1=CC(=CC=C1NC2=NN=C(S2)SCC(CCC#N)C#N)F

InChI

InChI=1S/C14H12FN5S2/c15-11-3-5-12(6-4-11)18-13-19-20-14(22-13)21-9-10(8-17)2-1-7-16/h3-6,10H,1-2,9H2,(H,18,19)