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

Systemtic Name: ethyl 3-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-fluoro-benzothiophene-2-carboxylate CAS Name: 3-[[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-[[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-4-fluoro-benzothiophene-2-carboxylic acid ethyl ester Formula: C18H18FN3O2S2 MolecularWeight: 391.482823

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CSC3=NN=C(N3C4CC4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CSC3=NN=C(N3C4CC4)C

InChI

InChI=1S/C18H18FN3O2S2/c1-3-24-17(23)16-12(15-13(19)5-4-6-14(15)26-16)9-25-18-21-20-10(2)22(18)11-7-8-11/h4-6,11H,3,7-9H2,1-2H3