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

Systemtic Name: ethyl 3-[(4-azanyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-fluoro-benzothiophene-2-carboxylate CAS Name: 3-[[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-[[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-4-fluoro-benzothiophene-2-carboxylic acid ethyl ester Formula: C15H15FN4O2S2 MolecularWeight: 366.433603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CSC3=NN=C(N3N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CSC3=NN=C(N3N)C

InChI

InChI=1S/C15H15FN4O2S2/c1-3-22-14(21)13-9(7-23-15-19-18-8(2)20(15)17)12-10(16)5-4-6-11(12)24-13/h4-6H,3,7,17H2,1-2H3