(4,4-dimethyl-1-sulfanylidene-5H-[1,2]dithiolo[3,4-c]quinolin-8-yl) 4-bromanylbenzoate

Systemtic Name: (4,4-dimethyl-1-sulfanylidene-5H-[1,2]dithiolo[3,4-c]quinolin-8-yl) 4-bromanylbenzoate Openeye Name: (4,4-dimethyl-1-thioxo-5H-dithiolo[3,4-c]quinolin-8-yl) 4-bromobenzoate CAS Name: 4-bromobenzoic acid (4,4-dimethyl-1-sulfanylidene-5H-dithiolo[3,4-c]quinolin-8-yl) ester IUPAC Name: (4,4-dimethyl-1-sulfanylidene-5H-dithiolo[3,4-c]quinolin-8-yl) 4-bromobenzoate Traditional Name: 4-bromobenzoic acid (4,4-dimethyl-1-thioxo-5H-dithiolo[3,4-c]quinolin-8-yl) ester Formula: C19H14BrNO2S3 MolecularWeight: 464.41896

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C3=C(N1)C=CC(=C3)OC(=O)C4=CC=C(C=C4)Br)C(=S)SS2)C

Isomeric SMILES

CC1(C2=C(C3=C(N1)C=CC(=C3)OC(=O)C4=CC=C(C=C4)Br)C(=S)SS2)C

InChI

InChI=1S/C19H14BrNO2S3/c1-19(2)16-15(18(24)26-25-16)13-9-12(7-8-14(13)21-19)23-17(22)10-3-5-11(20)6-4-10/h3-9,21H,1-2H3