3-cyanopropyl 1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate

Systemtic Name: 3-cyanopropyl 1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate Openeye Name: 3-cyanopropyl 1-(4-fluorophenyl)-5-(2-thienyl)-1,2,4-triazole-3-carboxylate CAS Name: 1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-5-(2-thienyl)-1,2,4-triazole-3-carboxylic acid 3-cyanopropyl ester Formula: C17H13FN4O2S MolecularWeight: 356.374123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NC(=NN2C3=CC=C(C=C3)F)C(=O)OCCCC#N

Isomeric SMILES

C1=CSC(=C1)C2=NC(=NN2C3=CC=C(C=C3)F)C(=O)OCCCC#N

InChI

InChI=1S/C17H13FN4O2S/c18-12-5-7-13(8-6-12)22-16(14-4-3-11-25-14)20-15(21-22)17(23)24-10-2-1-9-19/h3-8,11H,1-2,10H2