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

Systemtic Name: 3-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 3-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[4-cyclopropyl-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:

C1CC1N2C(=NN=C2SCC3=CC=CC(=C3)C#N)C4=CC=CC=C4F

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=CC=CC(=C3)C#N)C4=CC=CC=C4F

InChI

InChI=1S/C19H15FN4S/c20-17-7-2-1-6-16(17)18-22-23-19(24(18)15-8-9-15)25-12-14-5-3-4-13(10-14)11-21/h1-7,10,15H,8-9,12H2