2-[[5-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-yl-ethanone

Systemtic Name: 2-[[5-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-yl-ethanone Openeye Name: 2-[[5-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2-naphthyl)ethanone CAS Name: 2-[[5-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(2-naphthalenyl)ethanone IUPAC Name: 2-[[5-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-ylethanone Traditional Name: 1-(2-naphthyl)-2-[(4-phenyl-5-veratryl-1,2,4-triazol-3-yl)thio]ethanone Formula: C29H25N3O3S MolecularWeight: 495.5921

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC5=CC=CC=C5C=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC5=CC=CC=C5C=C4)OC

InChI

InChI=1S/C29H25N3O3S/c1-34-26-15-12-20(16-27(26)35-2)17-28-30-31-29(32(28)24-10-4-3-5-11-24)36-19-25(33)23-14-13-21-8-6-7-9-22(21)18-23/h3-16,18H,17,19H2,1-2H3