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

Systemtic Name: ethyl 4-fluoranyl-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 4-fluoro-3-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]methyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-fluoro-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-[[(4-isopropyl-1,2,4-triazol-3-yl)thio]methyl]benzothiophene-2-carboxylic acid ethyl ester Formula: C17H18FN3O2S2 MolecularWeight: 379.472123

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CSC3=NN=CN3C(C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CSC3=NN=CN3C(C)C

InChI

InChI=1S/C17H18FN3O2S2/c1-4-23-16(22)15-11(14-12(18)6-5-7-13(14)25-15)8-24-17-20-19-9-21(17)10(2)3/h5-7,9-10H,4,8H2,1-3H3