1-phenyl-2-[[5-[(4-propan-2-ylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-phenyl-2-[[5-[(4-propan-2-ylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[[4-allyl-5-[(4-isopropylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 1-phenyl-2-[[5-[(4-propan-2-ylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-phenyl-2-[[5-[(4-propan-2-ylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 2-[[4-allyl-5-[(4-isopropylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OCC2=NN=C(N2CC=C)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OCC2=NN=C(N2CC=C)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H25N3O2S/c1-4-14-26-22(15-28-20-12-10-18(11-13-20)17(2)3)24-25-23(26)29-16-21(27)19-8-6-5-7-9-19/h4-13,17H,1,14-16H2,2-3H3