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

Systemtic Name: 2-[[5-(7-methoxy-1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone Openeye Name: 2-[[4-allyl-5-(7-methoxybenzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone CAS Name: 2-[[5-(7-methoxy-2-benzofuranyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-(4-methoxyphenyl)ethanone IUPAC Name: 2-[[5-(7-methoxy-1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone Traditional Name: 2-[[4-allyl-5-(7-methoxybenzofuran-2-yl)-1,2,4-triazol-3-yl]thio]-1-(4-methoxyphenyl)ethanone Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC=C)C3=CC4=C(O3)C(=CC=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC=C)C3=CC4=C(O3)C(=CC=C4)OC

InChI

InChI=1S/C23H21N3O4S/c1-4-12-26-22(20-13-16-6-5-7-19(29-3)21(16)30-20)24-25-23(26)31-14-18(27)15-8-10-17(28-2)11-9-15/h4-11,13H,1,12,14H2,2-3H3