2-[[5-(furan-2-yl)-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[[5-(furan-2-yl)-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[4-(4-benzyloxyphenyl)-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-(2-furanyl)-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-(furan-2-yl)-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[4-(4-benzoxyphenyl)-5-(2-furyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C27H21N3O3S MolecularWeight: 467.53894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)N3C(=NN=C3SCC(=O)C4=CC=CC=C4)C5=CC=CO5

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)N3C(=NN=C3SCC(=O)C4=CC=CC=C4)C5=CC=CO5

InChI

InChI=1S/C27H21N3O3S/c31-24(21-10-5-2-6-11-21)19-34-27-29-28-26(25-12-7-17-32-25)30(27)22-13-15-23(16-14-22)33-18-20-8-3-1-4-9-20/h1-17H,18-19H2