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

Systemtic Name: 4-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-fluoranyl-benzenecarbonitrile Openeye Name: 4-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-fluoro-benzonitrile CAS Name: 4-[[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]methyl]-3-fluorobenzonitrile IUPAC Name: 4-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-fluorobenzonitrile Traditional Name: 4-[[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]methyl]-3-fluoro-benzonitrile Formula: C14H15FN4OS MolecularWeight: 306.358503

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC2=C(C=C(C=C2)C#N)F

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC2=C(C=C(C=C2)C#N)F

InChI

InChI=1S/C14H15FN4OS/c1-2-3-6-19-13(20)17-18-14(19)21-9-11-5-4-10(8-16)7-12(11)15/h4-5,7H,2-3,6,9H2,1H3,(H,17,20)