4-(butylamino)-3-nitro-thiochromen-2-one

Systemtic Name: 4-(butylamino)-3-nitro-thiochromen-2-one Openeye Name: 4-(butylamino)-3-nitro-thiochromen-2-one CAS Name: 4-(butylamino)-3-nitro-1-benzothiopyran-2-one IUPAC Name: 4-(butylamino)-3-nitrothiochromen-2-one Traditional Name: 4-(butylamino)-3-nitro-thiochromen-2-one Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=O)SC2=CC=CC=C21)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C(=O)SC2=CC=CC=C21)[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O3S/c1-2-3-8-14-11-9-6-4-5-7-10(9)19-13(16)12(11)15(17)18/h4-7,14H,2-3,8H2,1H3