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

Systemtic Name: 3-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 3-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 3-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]propionitrile Formula: C12H11FN4S MolecularWeight: 262.305943

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCC#N)C2=CC=C(C=C2)F

Isomeric SMILES

CN1C(=NN=C1SCCC#N)C2=CC=C(C=C2)F

InChI

InChI=1S/C12H11FN4S/c1-17-11(9-3-5-10(13)6-4-9)15-16-12(17)18-8-2-7-14/h3-6H,2,8H2,1H3