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

Systemtic Name: 2-[[5-(furan-2-yl)-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[4-(4-benzyloxyphenyl)-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[5-(2-furanyl)-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[5-(furan-2-yl)-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[4-(4-benzoxyphenyl)-5-(2-furyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C27H22N4O3S MolecularWeight: 482.55358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)N3C(=NN=C3SCC(=O)NC4=CC=CC=C4)C5=CC=CO5

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)N3C(=NN=C3SCC(=O)NC4=CC=CC=C4)C5=CC=CO5

InChI

InChI=1S/C27H22N4O3S/c32-25(28-21-10-5-2-6-11-21)19-35-27-30-29-26(24-12-7-17-33-24)31(27)22-13-15-23(16-14-22)34-18-20-8-3-1-4-9-20/h1-17H,18-19H2,(H,28,32)