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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[1-(3-fluorophenyl)imidazol-2-yl]sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[1-(3-fluorophenyl)imidazol-2-yl]sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[1-(3-fluorophenyl)-2-imidazolyl]thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[1-(3-fluorophenyl)imidazol-2-yl]sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[[1-(3-fluorophenyl)imidazol-2-yl]thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C18H15FN4O2S2 MolecularWeight: 402.465703

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C18H15FN4O2S2/c1-2-25-17(24)15-14(13(9-20)16(21)27-15)10-26-18-22-6-7-23(18)12-5-3-4-11(19)8-12/h3-8H,2,10,21H2,1H3