3-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile

Systemtic Name: 3-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 3-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 3-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]propionitrile Formula: C17H12F2N4S MolecularWeight: 342.365786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN=C(N2C3=CC=C(C=C3)F)SCCC#N)F

Isomeric SMILES

C1=CC(=CC=C1C2=NN=C(N2C3=CC=C(C=C3)F)SCCC#N)F

InChI

InChI=1S/C17H12F2N4S/c18-13-4-2-12(3-5-13)16-21-22-17(24-11-1-10-20)23(16)15-8-6-14(19)7-9-15/h2-9H,1,11H2