4-(2-methylbutan-2-ylamino)-3-nitro-thiochromen-2-one

Systemtic Name: 4-(2-methylbutan-2-ylamino)-3-nitro-thiochromen-2-one Openeye Name: 4-(1,1-dimethylpropylamino)-3-nitro-thiochromen-2-one CAS Name: 4-(2-methylbutan-2-ylamino)-3-nitro-1-benzothiopyran-2-one IUPAC Name: 4-(2-methylbutan-2-ylamino)-3-nitrothiochromen-2-one Traditional Name: 4-(tert-amylamino)-3-nitro-thiochromen-2-one Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC1=C(C(=O)SC2=CC=CC=C21)[N+](=O)[O-]

Isomeric SMILES

CCC(C)(C)NC1=C(C(=O)SC2=CC=CC=C21)[N+](=O)[O-]

InChI

InChI=1S/C14H16N2O3S/c1-4-14(2,3)15-11-9-7-5-6-8-10(9)20-13(17)12(11)16(18)19/h5-8,15H,4H2,1-3H3