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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C17H14FN5O2S2 MolecularWeight: 403.453763

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NNC(=N2)C3=CC=CC=C3F

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NNC(=N2)C3=CC=CC=C3F

InChI

InChI=1S/C17H14FN5O2S2/c1-2-25-16(24)13-11(10(7-19)14(20)27-13)8-26-17-21-15(22-23-17)9-5-3-4-6-12(9)18/h3-6H,2,8,20H2,1H3,(H,21,22,23)