1-ethyl-6-nitro-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)quinolin-4-one

Systemtic Name: 1-ethyl-6-nitro-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)quinolin-4-one Openeye Name: 1-ethyl-6-nitro-3-(2-thioxo-3H-1,3,4-oxadiazol-5-yl)quinolin-4-one CAS Name: 1-ethyl-6-nitro-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)-4-quinolinone IUPAC Name: 1-ethyl-6-nitro-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)quinolin-4-one Traditional Name: 1-ethyl-6-nitro-3-(2-thioxo-3H-1,3,4-oxadiazol-5-yl)-4-quinolone Formula: C13H10N4O4S MolecularWeight: 318.3079

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C=CC(=C2)[N+](=O)[O-])C3=NNC(=S)O3

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C=CC(=C2)[N+](=O)[O-])C3=NNC(=S)O3

InChI

InChI=1S/C13H10N4O4S/c1-2-16-6-9(12-14-15-13(22)21-12)11(18)8-5-7(17(19)20)3-4-10(8)16/h3-6H,2H2,1H3,(H,15,22)