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

Systemtic Name: 2-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-yl-ethanone Openeye Name: 2-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-naphthyl)ethanone CAS Name: 2-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(2-naphthalenyl)ethanone IUPAC Name: 2-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-ylethanone Traditional Name: 2-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(2-naphthyl)ethanone Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC3=CC=CC=C3C=C2)C4=CC(=CC=C4)OC

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC3=CC=CC=C3C=C2)C4=CC(=CC=C4)OC

InChI

InChI=1S/C23H21N3O2S/c1-3-26-22(19-9-6-10-20(14-19)28-2)24-25-23(26)29-15-21(27)18-12-11-16-7-4-5-8-17(16)13-18/h4-14H,3,15H2,1-2H3