ethyl 4-fluoranyl-3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 4-fluoranyl-3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 4-fluoro-3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-fluoro-3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-[[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]benzothiophene-2-carboxylic acid ethyl ester Formula: C21H18FN3O2S2 MolecularWeight: 427.514923

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CSC3=NN=C(N3C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CSC3=NN=C(N3C)C4=CC=CC=C4

InChI

InChI=1S/C21H18FN3O2S2/c1-3-27-20(26)18-14(17-15(22)10-7-11-16(17)29-18)12-28-21-24-23-19(25(21)2)13-8-5-4-6-9-13/h4-11H,3,12H2,1-2H3