methyl 5-(4-bromophenyl)-2,6,6-tricyano-3-methylsulfanyl-hexa-2,5-dienoate

Systemtic Name: methyl 5-(4-bromophenyl)-2,6,6-tricyano-3-methylsulfanyl-hexa-2,5-dienoate Openeye Name: methyl 5-(4-bromophenyl)-2,6,6-tricyano-3-methylsulfanyl-hexa-2,5-dienoate CAS Name: 5-(4-bromophenyl)-2,6,6-tricyano-3-(methylthio)hexa-2,5-dienoic acid methyl ester IUPAC Name: methyl 5-(4-bromophenyl)-2,6,6-tricyano-3-methylsulfanylhexa-2,5-dienoate Traditional Name: 5-(4-bromophenyl)-2,6,6-tricyano-3-(methylthio)hexa-2,5-dienoic acid methyl ester Formula: C17H12BrN3O2S MolecularWeight: 402.26508

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C(CC(=C(C#N)C#N)C1=CC=C(C=C1)Br)SC)C#N

Isomeric SMILES

COC(=O)C(=C(CC(=C(C#N)C#N)C1=CC=C(C=C1)Br)SC)C#N

InChI

InChI=1S/C17H12BrN3O2S/c1-23-17(22)15(10-21)16(24-2)7-14(12(8-19)9-20)11-3-5-13(18)6-4-11/h3-6H,7H2,1-2H3