4-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-fluoranyl-benzenecarbonitrile Openeye Name: 4-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-fluoro-benzonitrile CAS Name: 4-[[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]methyl]-3-fluorobenzonitrile IUPAC Name: 4-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-fluorobenzonitrile Traditional Name: 4-[[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]methyl]-3-fluoro-benzonitrile Formula: C14H15FN4S MolecularWeight: 290.359103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=NN1)SCC2=C(C=C(C=C2)C#N)F

Isomeric SMILES

CC(C)(C)C1=NC(=NN1)SCC2=C(C=C(C=C2)C#N)F

InChI

InChI=1S/C14H15FN4S/c1-14(2,3)12-17-13(19-18-12)20-8-10-5-4-9(7-16)6-11(10)15/h4-6H,8H2,1-3H3,(H,17,18,19)