2-[[5-[3-(4-methoxyphenyl)propyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[[5-[3-(4-methoxyphenyl)propyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[4-allyl-5-[3-(4-methoxyphenyl)propyl]-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-[3-(4-methoxyphenyl)propyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-[3-(4-methoxyphenyl)propyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[4-allyl-5-[3-(4-methoxyphenyl)propyl]-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:

COC1=CC=C(C=C1)CCCC2=NN=C(N2CC=C)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)CCCC2=NN=C(N2CC=C)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H25N3O2S/c1-3-16-26-22(11-7-8-18-12-14-20(28-2)15-13-18)24-25-23(26)29-17-21(27)19-9-5-4-6-10-19/h3-6,9-10,12-15H,1,7-8,11,16-17H2,2H3