2-[[5-(5-chloranyl-1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[[5-(5-chloranyl-1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[4-allyl-5-(5-chlorobenzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-(5-chloro-2-benzofuranyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-(5-chloro-1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[4-allyl-5-(5-chlorobenzofuran-2-yl)-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C21H16ClN3O2S MolecularWeight: 409.88864

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3=CC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3=CC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C21H16ClN3O2S/c1-2-10-25-20(19-12-15-11-16(22)8-9-18(15)27-19)23-24-21(25)28-13-17(26)14-6-4-3-5-7-14/h2-9,11-12H,1,10,13H2