3-[[5-(2-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[5-(2-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[4-allyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[5-(2-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 3-[[5-(2-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[4-allyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C19H15FN4S MolecularWeight: 350.412603

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=CC(=C2)C#N)C3=CC=CC=C3F

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=CC(=C2)C#N)C3=CC=CC=C3F

InChI

InChI=1S/C19H15FN4S/c1-2-10-24-18(16-8-3-4-9-17(16)20)22-23-19(24)25-13-15-7-5-6-14(11-15)12-21/h2-9,11H,1,10,13H2