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

Systemtic Name: 2-[[4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-1-yl-ethanone Openeye Name: 2-[[4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1-naphthyl)ethanone CAS Name: 2-[[4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]thio]-1-(1-naphthalenyl)ethanone IUPAC Name: 2-[[4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-1-ylethanone Traditional Name: 2-[[4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]thio]-1-(1-naphthyl)ethanone Formula: C22H19N3OS MolecularWeight: 373.47076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C=NN=C2SCC(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C=NN=C2SCC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H19N3OS/c1-15-10-11-16(2)20(12-15)25-14-23-24-22(25)27-13-21(26)19-9-5-7-17-6-3-4-8-18(17)19/h3-12,14H,13H2,1-2H3