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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C17H13FN4O3S2 MolecularWeight: 404.438523

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=C(O2)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=C(O2)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H13FN4O3S2/c1-2-24-16(23)13-12(11(7-19)14(20)27-13)8-26-17-22-21-15(25-17)9-3-5-10(18)6-4-9/h3-6H,2,8,20H2,1H3