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

Systemtic Name: 2-[(4-methyl-3H-1,2,4-triazol-4-ium-3-yl)sulfanyl]-1-naphthalen-2-yl-ethanone Openeye Name: 2-[(4-methyl-3H-1,2,4-triazol-4-ium-3-yl)sulfanyl]-1-(2-naphthyl)ethanone CAS Name: 2-[(4-methyl-3H-1,2,4-triazol-4-ium-3-yl)thio]-1-(2-naphthalenyl)ethanone IUPAC Name: 2-[(4-methyl-3H-1,2,4-triazol-4-ium-3-yl)sulfanyl]-1-naphthalen-2-ylethanone Traditional Name: 2-[(4-methyl-3H-1,2,4-triazol-4-ium-3-yl)thio]-1-(2-naphthyl)ethanone Formula: C15H14N3OS+ MolecularWeight: 284.35616

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN=NC1SCC(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C[N+]1=CN=NC1SCC(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C15H14N3OS/c1-18-10-16-17-15(18)20-9-14(19)13-7-6-11-4-2-3-5-12(11)8-13/h2-8,10,15H,9H2,1H3/q+1