2-[[4-(4-ethoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-yl-ethanone

Systemtic Name: 2-[[4-(4-ethoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-yl-ethanone Openeye Name: 2-[[4-(4-ethoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-naphthyl)ethanone CAS Name: 2-[[4-(4-ethoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-1-(2-naphthalenyl)ethanone IUPAC Name: 2-[[4-(4-ethoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-ylethanone Traditional Name: 1-(2-naphthyl)-2-[[5-(phenoxymethyl)-4-p-phenetyl-1,2,4-triazol-3-yl]thio]ethanone Formula: C29H25N3O3S MolecularWeight: 495.5921

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC4=CC=CC=C4C=C3)COC5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC4=CC=CC=C4C=C3)COC5=CC=CC=C5

InChI

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