[(5Z)-4,4-dibutyl-5-(fluoranylmethylidene)-1,3-thiazol-2-yl]sulfanylmethyl thiocyanate

Systemtic Name: [(5Z)-4,4-dibutyl-5-(fluoranylmethylidene)-1,3-thiazol-2-yl]sulfanylmethyl thiocyanate Openeye Name: [(5Z)-4,4-dibutyl-5-(fluoromethylene)thiazol-2-yl]sulfanylmethyl thiocyanate CAS Name: thiocyanic acid [[(5Z)-4,4-dibutyl-5-(fluoromethylidene)-2-thiazolyl]thio]methyl ester IUPAC Name: [(5Z)-4,4-dibutyl-5-(fluoromethylidene)-1,3-thiazol-2-yl]sulfanylmethyl thiocyanate Traditional Name: thiocyanic acid [[(5Z)-4,4-dibutyl-5-(fluoromethylene)-2-thiazolin-2-yl]thio]methyl ester Formula: C14H21FN2S3 MolecularWeight: 332.523343

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(=CF)SC(=N1)SCSC#N)CCCC

Isomeric SMILES

CCCCC1(/C(=C/F)/SC(=N1)SCSC#N)CCCC

InChI

InChI=1S/C14H21FN2S3/c1-3-5-7-14(8-6-4-2)12(9-15)20-13(17-14)19-11-18-10-16/h9H,3-8,11H2,1-2H3/b12-9-