N-(2-cyanoethyl)-2,2-bis(fluoranylmethyl)-6-(trifluoromethyl)chromene-4-carbothioamide

Systemtic Name: N-(2-cyanoethyl)-2,2-bis(fluoranylmethyl)-6-(trifluoromethyl)chromene-4-carbothioamide Openeye Name: N-(2-cyanoethyl)-2,2-bis(fluoromethyl)-6-(trifluoromethyl)chromene-4-carbothioamide CAS Name: N-(2-cyanoethyl)-2,2-bis(fluoromethyl)-6-(trifluoromethyl)-1-benzopyran-4-carbothioamide IUPAC Name: N-(2-cyanoethyl)-2,2-bis(fluoromethyl)-6-(trifluoromethyl)chromene-4-carbothioamide Traditional Name: N-(2-cyanoethyl)-2,2-bis(fluoromethyl)-6-(trifluoromethyl)chromene-4-carbothioamide Formula: C16H13F5N2OS MolecularWeight: 376.344236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(F)(F)F)C(=CC(O2)(CF)CF)C(=S)NCCC#N

Isomeric SMILES

C1=CC2=C(C=C1C(F)(F)F)C(=CC(O2)(CF)CF)C(=S)NCCC#N

InChI

InChI=1S/C16H13F5N2OS/c17-8-15(9-18)7-12(14(25)23-5-1-4-22)11-6-10(16(19,20)21)2-3-13(11)24-15/h2-3,6-7H,1,5,8-9H2,(H,23,25)