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

Systemtic Name: 1-(4-methoxy-3-nitro-phenyl)-2-[[5-(3-methyl-1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[[4-allyl-5-(3-methylbenzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxy-3-nitro-phenyl)ethanone CAS Name: 1-(4-methoxy-3-nitrophenyl)-2-[[5-(3-methyl-2-benzofuranyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-methoxy-3-nitrophenyl)-2-[[5-(3-methyl-1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 2-[[4-allyl-5-(3-methylbenzofuran-2-yl)-1,2,4-triazol-3-yl]thio]-1-(4-methoxy-3-nitro-phenyl)ethanone Formula: C23H20N4O5S MolecularWeight: 464.4937

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C3=NN=C(N3CC=C)SCC(=O)C4=CC(=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C3=NN=C(N3CC=C)SCC(=O)C4=CC(=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C23H20N4O5S/c1-4-11-26-22(21-14(2)16-7-5-6-8-19(16)32-21)24-25-23(26)33-13-18(28)15-9-10-20(31-3)17(12-15)27(29)30/h4-10,12H,1,11,13H2,2-3H3