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

Systemtic Name: N-(2-cyanoethyl)-2-methyl-6-nitro-2-(trifluoromethyl)chromene-4-carbothioamide Openeye Name: N-(2-cyanoethyl)-2-methyl-6-nitro-2-(trifluoromethyl)chromene-4-carbothioamide CAS Name: N-(2-cyanoethyl)-2-methyl-6-nitro-2-(trifluoromethyl)-1-benzopyran-4-carbothioamide IUPAC Name: N-(2-cyanoethyl)-2-methyl-6-nitro-2-(trifluoromethyl)chromene-4-carbothioamide Traditional Name: N-(2-cyanoethyl)-2-methyl-6-nitro-2-(trifluoromethyl)chromene-4-carbothioamide Formula: C15H12F3N3O3S MolecularWeight: 371.33429

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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)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C15H12F3N3O3S/c1-14(15(16,17)18)8-11(13(25)20-6-2-5-19)10-7-9(21(22)23)3-4-12(10)24-14/h3-4,7-8H,2,6H2,1H3,(H,20,25)