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

Systemtic Name: 2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-yl-ethanone Openeye Name: 2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2-naphthyl)ethanone CAS Name: 2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(2-naphthalenyl)ethanone IUPAC Name: 2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-ylethanone Traditional Name: 2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(2-naphthyl)ethanone Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC3=CC=CC=C3C=C2)C4=CC(=CC=C4)OC

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC3=CC=CC=C3C=C2)C4=CC(=CC=C4)OC

InChI

InChI=1S/C22H19N3O2S/c1-25-21(18-8-5-9-19(13-18)27-2)23-24-22(25)28-14-20(26)17-11-10-15-6-3-4-7-16(15)12-17/h3-13H,14H2,1-2H3