ethyl 5-azanyl-4-cyano-3-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[1-(2,4-dimethylphenyl)-2-imidazolyl]thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[[1-(2,4-dimethylphenyl)imidazol-2-yl]thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C20H20N4O2S2 MolecularWeight: 412.5284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC=CN2C3=C(C=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC=CN2C3=C(C=C(C=C3)C)C

InChI

InChI=1S/C20H20N4O2S2/c1-4-26-19(25)17-15(14(10-21)18(22)28-17)11-27-20-23-7-8-24(20)16-6-5-12(2)9-13(16)3/h5-9H,4,11,22H2,1-3H3