N,2,2-trimethyl-6-nitro-chromene-4-carbothioamide

Systemtic Name: N,2,2-trimethyl-6-nitro-chromene-4-carbothioamide Openeye Name: N,2,2-trimethyl-6-nitro-chromene-4-carbothioamide CAS Name: N,2,2-trimethyl-6-nitro-1-benzopyran-4-carbothioamide IUPAC Name: N,2,2-trimethyl-6-nitrochromene-4-carbothioamide Traditional Name: N,2,2-trimethyl-6-nitro-chromene-4-carbothioamide Formula: C13H14N2O3S MolecularWeight: 278.32686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])C(=S)NC)C

Isomeric SMILES

CC1(C=C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])C(=S)NC)C

InChI

InChI=1S/C13H14N2O3S/c1-13(2)7-10(12(19)14-3)9-6-8(15(16)17)4-5-11(9)18-13/h4-7H,1-3H3,(H,14,19)