1-(4,4-dimethyl-1-sulfanylidene-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-phenyl-butan-1-one

Systemtic Name: 1-(4,4-dimethyl-1-sulfanylidene-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-phenyl-butan-1-one Openeye Name: 1-(4,4-dimethyl-1-thioxo-dithiolo[3,4-c]quinolin-5-yl)-2-phenyl-butan-1-one CAS Name: 1-(4,4-dimethyl-1-sulfanylidene-5-dithiolo[3,4-c]quinolinyl)-2-phenyl-1-butanone IUPAC Name: 1-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-2-phenylbutan-1-one Traditional Name: 1-(4,4-dimethyl-1-thioxo-dithiolo[3,4-c]quinolin-5-yl)-2-phenyl-butan-1-one Formula: C22H21NOS3 MolecularWeight: 411.60324

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N2C3=CC=CC=C3C4=C(C2(C)C)SSC4=S

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N2C3=CC=CC=C3C4=C(C2(C)C)SSC4=S

InChI

InChI=1S/C22H21NOS3/c1-4-15(14-10-6-5-7-11-14)20(24)23-17-13-9-8-12-16(17)18-19(22(23,2)3)26-27-21(18)25/h5-13,15H,4H2,1-3H3