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

Systemtic Name: ethyl 4-fluoranyl-3-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[(4-allyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-fluoro-benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[[(4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-fluoro-3-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylate Traditional Name: 3-[[(4-allyl-1,2,4-triazol-3-yl)thio]methyl]-4-fluoro-benzothiophene-2-carboxylic acid ethyl ester Formula: C17H16FN3O2S2 MolecularWeight: 377.456243

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CSC3=NN=CN3CC=C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CSC3=NN=CN3CC=C

InChI

InChI=1S/C17H16FN3O2S2/c1-3-8-21-10-19-20-17(21)24-9-11-14-12(18)6-5-7-13(14)25-15(11)16(22)23-4-2/h3,5-7,10H,1,4,8-9H2,2H3