2-[[5-(7-methoxy-1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[[5-(7-methoxy-1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[4-allyl-5-(7-methoxybenzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-(7-methoxy-2-benzofuranyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-(7-methoxy-1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[4-allyl-5-(7-methoxybenzofuran-2-yl)-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=C2)C3=NN=C(N3CC=C)SCC(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC2=C1OC(=C2)C3=NN=C(N3CC=C)SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H19N3O3S/c1-3-12-25-21(19-13-16-10-7-11-18(27-2)20(16)28-19)23-24-22(25)29-14-17(26)15-8-5-4-6-9-15/h3-11,13H,1,12,14H2,2H3