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

Systemtic Name: 2-[(4-phenethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: 2-[(4-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(4-phenethyl-1,2,4-triazol-3-yl)thio]acetate IUPAC Name: 2-[(4-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-phenethyl-1,2,4-triazol-3-yl)thio]acetate Formula: C12H12N3O2S- MolecularWeight: 262.30758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C=NN=C2SCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCN2C=NN=C2SCC(=O)[O-]

InChI

InChI=1S/C12H13N3O2S/c16-11(17)8-18-12-14-13-9-15(12)7-6-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,16,17)/p-1