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

Systemtic Name: N-(2-cyanoethyl)-2-(fluoranylmethyl)-2-methyl-6-nitro-chromene-4-carbothioamide Openeye Name: N-(2-cyanoethyl)-2-(fluoromethyl)-2-methyl-6-nitro-chromene-4-carbothioamide CAS Name: N-(2-cyanoethyl)-2-(fluoromethyl)-2-methyl-6-nitro-1-benzopyran-4-carbothioamide IUPAC Name: N-(2-cyanoethyl)-2-(fluoromethyl)-2-methyl-6-nitrochromene-4-carbothioamide Traditional Name: N-(2-cyanoethyl)-2-(fluoromethyl)-2-methyl-6-nitro-chromene-4-carbothioamide Formula: C15H14FN3O3S MolecularWeight: 335.353363

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])C(=S)NCCC#N)CF

Isomeric SMILES

CC1(C=C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])C(=S)NCCC#N)CF

InChI

InChI=1S/C15H14FN3O3S/c1-15(9-16)8-12(14(23)18-6-2-5-17)11-7-10(19(20)21)3-4-13(11)22-15/h3-4,7-8H,2,6,9H2,1H3,(H,18,23)