1-(4,4-dimethyl-8-nitro-1-sulfanylidene-[1,2]dithiolo[3,4-c]quinolin-5-yl)pentan-1-one

Systemtic Name: 1-(4,4-dimethyl-8-nitro-1-sulfanylidene-[1,2]dithiolo[3,4-c]quinolin-5-yl)pentan-1-one Openeye Name: 1-(4,4-dimethyl-8-nitro-1-thioxo-dithiolo[3,4-c]quinolin-5-yl)pentan-1-one CAS Name: 1-(4,4-dimethyl-8-nitro-1-sulfanylidene-5-dithiolo[3,4-c]quinolinyl)-1-pentanone IUPAC Name: 1-(4,4-dimethyl-8-nitro-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)pentan-1-one Traditional Name: 1-(4,4-dimethyl-8-nitro-1-thioxo-dithiolo[3,4-c]quinolin-5-yl)pentan-1-one Formula: C17H18N2O3S3 MolecularWeight: 394.53142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1C2=C(C=C(C=C2)[N+](=O)[O-])C3=C(C1(C)C)SSC3=S

Isomeric SMILES

CCCCC(=O)N1C2=C(C=C(C=C2)[N+](=O)[O-])C3=C(C1(C)C)SSC3=S

InChI

InChI=1S/C17H18N2O3S3/c1-4-5-6-13(20)18-12-8-7-10(19(21)22)9-11(12)14-15(17(18,2)3)24-25-16(14)23/h7-9H,4-6H2,1-3H3