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

Systemtic Name: 4-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-fluoranyl-benzenecarbonitrile Openeye Name: 4-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-fluoro-benzonitrile CAS Name: 4-[[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-3-fluorobenzonitrile IUPAC Name: 4-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-fluorobenzonitrile Traditional Name: 4-[[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-3-fluoro-benzonitrile Formula: C18H14FN5S MolecularWeight: 351.400663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14FN5S/c19-16-9-12(10-20)1-2-14(16)11-25-18-23-22-17(24(18)15-3-4-15)13-5-7-21-8-6-13/h1-2,5-9,15H,3-4,11H2