N-(2-cyanoethyl)-2,2-bis(fluoranyl)-N-methyl-6-nitro-chromene-4-carbothioamide

Systemtic Name: N-(2-cyanoethyl)-2,2-bis(fluoranyl)-N-methyl-6-nitro-chromene-4-carbothioamide Openeye Name: N-(2-cyanoethyl)-2,2-difluoro-N-methyl-6-nitro-chromene-4-carbothioamide CAS Name: N-(2-cyanoethyl)-2,2-difluoro-N-methyl-6-nitro-1-benzopyran-4-carbothioamide IUPAC Name: N-(2-cyanoethyl)-2,2-difluoro-N-methyl-6-nitrochromene-4-carbothioamide Traditional Name: N-(2-cyanoethyl)-2,2-difluoro-N-methyl-6-nitro-chromene-4-carbothioamide Formula: C14H11F2N3O3S MolecularWeight: 339.317246

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=S)C1=CC(OC2=C1C=C(C=C2)[N+](=O)[O-])(F)F

Isomeric SMILES

CN(CCC#N)C(=S)C1=CC(OC2=C1C=C(C=C2)[N+](=O)[O-])(F)F

InChI

InChI=1S/C14H11F2N3O3S/c1-18(6-2-5-17)13(23)11-8-14(15,16)22-12-4-3-9(19(20)21)7-10(11)12/h3-4,7-8H,2,6H2,1H3