hexyl 5-bromanyl-3-(3-bromanyl-4-sulfanylidene-but-3-en-2-yl)-2-cyano-4-methyl-6-sulfanylidene-hexa-2,5-dienoate

Systemtic Name: hexyl 5-bromanyl-3-(3-bromanyl-4-sulfanylidene-but-3-en-2-yl)-2-cyano-4-methyl-6-sulfanylidene-hexa-2,5-dienoate Openeye Name: hexyl 5-bromo-3-(2-bromo-1-methyl-3-thioxo-allyl)-2-cyano-4-methyl-6-thioxo-hexa-2,5-dienoate CAS Name: 5-bromo-3-(3-bromo-4-sulfanylidenebut-3-en-2-yl)-2-cyano-4-methyl-6-sulfanylidenehexa-2,5-dienoic acid hexyl ester IUPAC Name: hexyl 5-bromo-3-(3-bromo-4-sulfanylidenebut-3-en-2-yl)-2-cyano-4-methyl-6-sulfanylidenehexa-2,5-dienoate Traditional Name: 5-bromo-3-(2-bromo-1-methyl-3-thioxo-allyl)-2-cyano-4-methyl-6-thioxo-hexa-2,5-dienoic acid hexyl ester Formula: C18H21Br2NO2S2 MolecularWeight: 507.30284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C(=C(C(C)C(=C=S)Br)C(C)C(=C=S)Br)C#N

Isomeric SMILES

CCCCCCOC(=O)C(=C(C(C)C(=C=S)Br)C(C)C(=C=S)Br)C#N

InChI

InChI=1S/C18H21Br2NO2S2/c1-4-5-6-7-8-23-18(22)14(9-21)17(12(2)15(19)10-24)13(3)16(20)11-25/h12-13H,4-8H2,1-3H3