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

Systemtic Name: 4-(dipropylamino)-3-nitro-thiochromen-2-one Openeye Name: 4-(dipropylamino)-3-nitro-thiochromen-2-one CAS Name: 4-(dipropylamino)-3-nitro-1-benzothiopyran-2-one IUPAC Name: 4-(dipropylamino)-3-nitrothiochromen-2-one Traditional Name: 4-(dipropylamino)-3-nitro-thiochromen-2-one Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=C(C(=O)SC2=CC=CC=C21)[N+](=O)[O-]

Isomeric SMILES

CCCN(CCC)C1=C(C(=O)SC2=CC=CC=C21)[N+](=O)[O-]

InChI

InChI=1S/C15H18N2O3S/c1-3-9-16(10-4-2)13-11-7-5-6-8-12(11)21-15(18)14(13)17(19)20/h5-8H,3-4,9-10H2,1-2H3