2-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl ethanoate

Systemtic Name: 2-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl ethanoate Openeye Name: 2-(3-phenyl-5-thioxo-1H-1,2,4-triazol-4-yl)ethyl acetate CAS Name: acetic acid 2-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl ester IUPAC Name: 2-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl acetate Traditional Name: acetic acid 2-(3-phenyl-5-thioxo-1H-1,2,4-triazol-4-yl)ethyl ester Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCN1C(=NNC1=S)C2=CC=CC=C2

Isomeric SMILES

CC(=O)OCCN1C(=NNC1=S)C2=CC=CC=C2

InChI

InChI=1S/C12H13N3O2S/c1-9(16)17-8-7-15-11(13-14-12(15)18)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,14,18)