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

Systemtic Name: 2-[(4-naphthalen-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: 2-[[4-(1-naphthyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(1-naphthalenyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[(4-naphthalen-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-(1-naphthyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C14H10N3O2S- MolecularWeight: 284.3131

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2N3C=NN=C3SCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2N3C=NN=C3SCC(=O)[O-]

InChI

InChI=1S/C14H11N3O2S/c18-13(19)8-20-14-16-15-9-17(14)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,9H,8H2,(H,18,19)/p-1