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

Systemtic Name: 2-[(5-ethyl-4-naphthalen-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: 2-[[5-ethyl-4-(1-naphthyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-ethyl-4-(1-naphthalenyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[(5-ethyl-4-naphthalen-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[5-ethyl-4-(1-naphthyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C16H14N3O2S- MolecularWeight: 312.36626

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C2=CC=CC3=CC=CC=C32)SCC(=O)[O-]

Isomeric SMILES

CCC1=NN=C(N1C2=CC=CC3=CC=CC=C32)SCC(=O)[O-]

InChI

InChI=1S/C16H15N3O2S/c1-2-14-17-18-16(22-10-15(20)21)19(14)13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,2,10H2,1H3,(H,20,21)/p-1