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

Systemtic Name: 2,2-bis(fluoranylmethyl)-N-methyl-6-nitro-chromene-4-carbothioamide Openeye Name: 2,2-bis(fluoromethyl)-N-methyl-6-nitro-chromene-4-carbothioamide CAS Name: 2,2-bis(fluoromethyl)-N-methyl-6-nitro-1-benzopyran-4-carbothioamide IUPAC Name: 2,2-bis(fluoromethyl)-N-methyl-6-nitrochromene-4-carbothioamide Traditional Name: 2,2-bis(fluoromethyl)-N-methyl-6-nitro-chromene-4-carbothioamide Formula: C13H12F2N2O3S MolecularWeight: 314.307786

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C1=CC(OC2=C1C=C(C=C2)[N+](=O)[O-])(CF)CF

Isomeric SMILES

CNC(=S)C1=CC(OC2=C1C=C(C=C2)[N+](=O)[O-])(CF)CF

InChI

InChI=1S/C13H12F2N2O3S/c1-16-12(21)10-5-13(6-14,7-15)20-11-3-2-8(17(18)19)4-9(10)11/h2-5H,6-7H2,1H3,(H,16,21)