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

Systemtic Name: 2-[(4-azanyl-5-naphthalen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: 2-[[4-amino-5-(2-naphthyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-amino-5-(2-naphthalenyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[(4-amino-5-naphthalen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-amino-5-(2-naphthyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C14H11N4O2S- MolecularWeight: 299.32774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C3=NN=C(N3N)SCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C3=NN=C(N3N)SCC(=O)[O-]

InChI

InChI=1S/C14H12N4O2S/c15-18-13(16-17-14(18)21-8-12(19)20)11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8,15H2,(H,19,20)/p-1