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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCN1C(=S)N=C(N1)C2=CC=CC=C2

Isomeric SMILES

CC(=O)OCCN1C(=S)N=C(N1)C2=CC=CC=C2

InChI

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