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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C2=CC=CC=C2)SCC(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCC1=NN=C(N1C2=CC=CC=C2)SCC(=O)C3=CC4=CC=CC=C4C=C3

InChI

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