methyl (E)-4-[(4-bromanylthiophen-2-yl)methylideneamino]-4,4-dicyano-but-2-enoate

Systemtic Name: methyl (E)-4-[(4-bromanylthiophen-2-yl)methylideneamino]-4,4-dicyano-but-2-enoate Openeye Name: methyl (E)-4-[(4-bromo-2-thienyl)methyleneamino]-4,4-dicyano-but-2-enoate CAS Name: (E)-4-[(4-bromo-2-thiophenyl)methylideneamino]-4,4-dicyano-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-[(4-bromothiophen-2-yl)methylideneamino]-4,4-dicyanobut-2-enoate Traditional Name: (E)-4-[(4-bromo-2-thienyl)methyleneamino]-4,4-dicyano-but-2-enoic acid methyl ester Formula: C12H8BrN3O2S MolecularWeight: 338.17982

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC(C#N)(C#N)N=CC1=CC(=CS1)Br

Isomeric SMILES

COC(=O)/C=C/C(C#N)(C#N)N=CC1=CC(=CS1)Br

InChI

InChI=1S/C12H8BrN3O2S/c1-18-11(17)2-3-12(7-14,8-15)16-5-10-4-9(13)6-19-10/h2-6H,1H3/b3-2+,16-5?