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

Systemtic Name: ethyl 4-fluoranyl-3-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-fluoro-benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[[(5-methyl-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-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylate Traditional Name: 3-[[(4-allyl-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(N3CC=C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CSC3=NN=C(N3CC=C)C

InChI

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