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

Systemtic Name: 2-[(5-methyl-4-naphthalen-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: 2-[[5-methyl-4-(1-naphthyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-methyl-4-(1-naphthalenyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[(5-methyl-4-naphthalen-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[5-methyl-4-(1-naphthyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C15H12N3O2S- MolecularWeight: 298.33968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC3=CC=CC=C32)SCC(=O)[O-]

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC3=CC=CC=C32)SCC(=O)[O-]

InChI

InChI=1S/C15H13N3O2S/c1-10-16-17-15(21-9-14(19)20)18(10)13-8-4-6-11-5-2-3-7-12(11)13/h2-8H,9H2,1H3,(H,19,20)/p-1