ethyl 3-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-4-fluoro-benzothiophene-2-carboxylate CAS Name: 3-[[[(5Z)-4-cyclopropyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-[[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]thio]methyl]-4-fluoro-benzothiophene-2-carboxylic acid ethyl ester Formula: C25H21FN4O2S2 MolecularWeight: 492.588243

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CSC3=NNC(=C4C=NC5=CC=CC=C54)N3C6CC6

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CSC3=NN/C(=C/4\C=NC5=CC=CC=C54)/N3C6CC6

InChI

InChI=1S/C25H21FN4O2S2/c1-2-32-24(31)22-17(21-18(26)7-5-9-20(21)34-22)13-33-25-29-28-23(30(25)14-10-11-14)16-12-27-19-8-4-3-6-15(16)19/h3-9,12,14,28H,2,10-11,13H2,1H3/b23-16-