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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[1-(3,5-dimethylphenyl)-2-imidazolyl]thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[[1-(3,5-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=CC(=CC(=C3)C)C

Isomeric SMILES

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

InChI

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