2-[[5-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)ethanone

Systemtic Name: 2-[[5-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)ethanone Openeye Name: 2-[[5-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)ethanone CAS Name: 2-[[5-[[(6-ethoxy-1,3-benzothiazol-2-yl)thio]methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(4-fluorophenyl)ethanone IUPAC Name: 2-[[5-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)ethanone Traditional Name: 2-[[5-[[(6-ethoxy-1,3-benzothiazol-2-yl)thio]methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(4-fluorophenyl)ethanone Formula: C26H21FN4O2S3 MolecularWeight: 536.663943

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SCC3=NN=C(N3C4=CC=CC=C4)SCC(=O)C5=CC=C(C=C5)F

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)SCC3=NN=C(N3C4=CC=CC=C4)SCC(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H21FN4O2S3/c1-2-33-20-12-13-21-23(14-20)36-26(28-21)35-16-24-29-30-25(31(24)19-6-4-3-5-7-19)34-15-22(32)17-8-10-18(27)11-9-17/h3-14H,2,15-16H2,1H3