N-(2-cyanoethyl)-2,2-bis(fluoranylmethyl)-6-nitro-3,4-dihydrochromene-4-carbothioamide

Systemtic Name: N-(2-cyanoethyl)-2,2-bis(fluoranylmethyl)-6-nitro-3,4-dihydrochromene-4-carbothioamide Openeye Name: N-(2-cyanoethyl)-2,2-bis(fluoromethyl)-6-nitro-chromane-4-carbothioamide CAS Name: N-(2-cyanoethyl)-2,2-bis(fluoromethyl)-6-nitro-3,4-dihydro-2H-1-benzopyran-4-carbothioamide IUPAC Name: N-(2-cyanoethyl)-2,2-bis(fluoromethyl)-6-nitro-3,4-dihydrochromene-4-carbothioamide Traditional Name: N-(2-cyanoethyl)-2,2-bis(fluoromethyl)-6-nitro-chroman-4-carbothioamide Formula: C15H15F2N3O3S MolecularWeight: 355.359706

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(C=CC(=C2)[N+](=O)[O-])OC1(CF)CF)C(=S)NCCC#N

Isomeric SMILES

C1C(C2=C(C=CC(=C2)[N+](=O)[O-])OC1(CF)CF)C(=S)NCCC#N

InChI

InChI=1S/C15H15F2N3O3S/c16-8-15(9-17)7-12(14(24)19-5-1-4-18)11-6-10(20(21)22)2-3-13(11)23-15/h2-3,6,12H,1,5,7-9H2,(H,19,24)