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

Systemtic Name: 1-(4-ethoxy-3-nitro-phenyl)-2-[[5-[(2-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[[4-allyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethoxy-3-nitro-phenyl)ethanone CAS Name: 1-(4-ethoxy-3-nitrophenyl)-2-[[5-[(2-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-ethoxy-3-nitrophenyl)-2-[[5-[(2-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 2-[[4-allyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-1-(4-ethoxy-3-nitro-phenyl)ethanone Formula: C23H24N4O5S MolecularWeight: 468.52546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2CC=C)COC3=CC=CC=C3C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2CC=C)COC3=CC=CC=C3C)[N+](=O)[O-]

InChI

InChI=1S/C23H24N4O5S/c1-4-12-26-22(14-32-20-9-7-6-8-16(20)3)24-25-23(26)33-15-19(28)17-10-11-21(31-5-2)18(13-17)27(29)30/h4,6-11,13H,1,5,12,14-15H2,2-3H3